(2,3-difluoro-4-methylcyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol

C23H38F4O — CID 140707008

IUPAC(2,3-difluoro-4-methylcyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol
SMILESCC1CCC(C(O)C2CCC(C3CCC(CC(C)(F)F)CC3)CC2)C(F)C1F
InChIInChI=1S/C23H38F4O/c1-14-3-12-19(21(25)20(14)24)22(28)18-10-8-17(9-11-18)16-6-4-15(5-7-16)13-23(2,26)27/h14-22,28H,3-13H2,1-2H3
InChIKeyDQAQKCZNWZMVJJ-UHFFFAOYSA-N
MW406.55 g/mol
LogP6.73
Rot. Bonds5

About (2,3-difluoro-4-methylcyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol

(2,3-difluoro-4-methylcyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol (PubChem CID 140707008) has the molecular formula C23H38F4O and a molecular weight of 406.55 g/mol. Its IUPAC name is (2,3-difluoro-4-methylcyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol.

Molecular Properties

Compound Name(2,3-difluoro-4-methylcyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol
PubChem CID140707008
Molecular FormulaC23H38F4O
Molecular Weight406.55 g/mol
Exact Mass406.29
IUPAC Name(2,3-difluoro-4-methylcyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol
SMILESCC1CCC(C(O)C2CCC(C3CCC(CC(C)(F)F)CC3)CC2)C(F)C1F
InChIInChI=1S/C23H38F4O/c1-14-3-12-19(21(25)20(14)24)22(28)18-10-8-17(9-11-18)16-6-4-15(5-7-16)13-23(2,26)27/h14-22,28H,3-13H2,1-2H3
InChIKeyDQAQKCZNWZMVJJ-UHFFFAOYSA-N
XLogP6.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2,3-difluoro-4-methylcyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol with MolForge

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Related Compounds

[2,3-Difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]methanol
CID 20645967
1-[Difluoro-(4-methylcyclohexyl)oxymethyl]-4-(4-methylcyclohexyl)cyclohexane
CID 20730839
1-[Difluoro-(4-methylcyclohexyl)methoxy]-4-(4-methylcyclohexyl)cyclohexane
CID 20730840
1-Methyl-4-[4-[2-[4-(trifluoromethoxy)cyclohexyl]ethyl]cyclohexyl]cyclohexane
CID 20810913
1-Methyl-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]cyclohexane
CID 20810915
2-[Difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane
CID 20810918
2-(Difluoromethoxy)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 20810919
2-Fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)cyclohexane
CID 20810921
5-[Difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorocyclohexane
CID 20810934
5-[Difluoro-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methoxy]-1,2,3-trifluorocyclohexane
CID 20810935
1-[Difluoro(1,1,1-trifluorooctan-2-yloxy)methyl]-4-(4-fluorocyclohexyl)cyclohexane
CID 21028964
1-[[4-(4-Ethylcyclohexyl)cyclohexyl]-hydroperoxymethyl]-2-fluoro-4-propylcyclohexane
CID 22089341

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylcyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol?
The IUPAC name of (2,3-difluoro-4-methylcyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol (CID 140707008) is (2,3-difluoro-4-methylcyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol.
What is the SMILES notation for (2,3-difluoro-4-methylcyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol?
The canonical SMILES for (2,3-difluoro-4-methylcyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol is CC1CCC(C(O)C2CCC(C3CCC(CC(C)(F)F)CC3)CC2)C(F)C1F.
What is the InChIKey of (2,3-difluoro-4-methylcyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol?
The InChIKey is DQAQKCZNWZMVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38F4O/c1-14-3-12-19(21(25)20(14)24)22(28)18-10-8-17(9-11-18)16-6-4-15(5-7-16)13-23(2,26)27/h14-22,28H,3-13H2,1-2H3.
What are the key properties of (2,3-difluoro-4-methylcyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol?
(2,3-difluoro-4-methylcyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol has a molecular weight of 406.55 g/mol, XLogP of 6.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylcyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol is sourced from PubChem (CID 140707008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).