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

C25H42F4O2 — CID 140707005

IUPAC(2,3-difluoro-4-propoxycyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol
SMILESCCCOC1CCC(C(O)C2CCC(C3CCC(CC(C)(F)F)CC3)CC2)C(F)C1F
InChIInChI=1S/C25H42F4O2/c1-3-14-31-21-13-12-20(22(26)23(21)27)24(30)19-10-8-18(9-11-19)17-6-4-16(5-7-17)15-25(2,28)29/h16-24,30H,3-15H2,1-2H3
InChIKeyLFBKCXSTMWKVQY-UHFFFAOYSA-N
MW450.60 g/mol
LogP6.89
Rot. Bonds8

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

(2,3-difluoro-4-propoxycyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol (PubChem CID 140707005) has the molecular formula C25H42F4O2 and a molecular weight of 450.60 g/mol. Its IUPAC name is (2,3-difluoro-4-propoxycyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol.

Molecular Properties

Compound Name(2,3-difluoro-4-propoxycyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol
PubChem CID140707005
Molecular FormulaC25H42F4O2
Molecular Weight450.60 g/mol
Exact Mass450.31
IUPAC Name(2,3-difluoro-4-propoxycyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol
SMILESCCCOC1CCC(C(O)C2CCC(C3CCC(CC(C)(F)F)CC3)CC2)C(F)C1F
InChIInChI=1S/C25H42F4O2/c1-3-14-31-21-13-12-20(22(26)23(21)27)24(30)19-10-8-18(9-11-19)17-6-4-16(5-7-17)15-25(2,28)29/h16-24,30H,3-15H2,1-2H3
InChIKeyLFBKCXSTMWKVQY-UHFFFAOYSA-N
XLogP6.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(2,3-difluoro-4-methylcyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol
CID 140707008
1-butoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 140626220
1-[4-(1,1-difluoropropyl)cyclohexyl]-2,3-difluoro-4-propoxycyclohexane
CID 118971036
1-cyclohexyl-4-(2,2-difluoropropyl)cyclohexane
CID 138719626
1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxycyclohexyl)cyclohexane
CID 118181664
1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexane
CID 140565843
2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)cyclohexyl]-4-propoxycyclohexane
CID 118592218
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorocyclohexane
CID 140565841
1-butoxy-2,3-difluoro-4-[(4-methylcyclohexyl)methoxy]cyclohexane
CID 130256718
2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane
CID 118181680
1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
CID 11173805
2,3-difluoro-1-(3-fluoro-4-prop-2-enoxycyclohexyl)-4-propoxycyclohexane
CID 118181731

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-propoxycyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol?
The IUPAC name of (2,3-difluoro-4-propoxycyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol (CID 140707005) is (2,3-difluoro-4-propoxycyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol.
What is the SMILES notation for (2,3-difluoro-4-propoxycyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol?
The canonical SMILES for (2,3-difluoro-4-propoxycyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol is CCCOC1CCC(C(O)C2CCC(C3CCC(CC(C)(F)F)CC3)CC2)C(F)C1F.
What is the InChIKey of (2,3-difluoro-4-propoxycyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol?
The InChIKey is LFBKCXSTMWKVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42F4O2/c1-3-14-31-21-13-12-20(22(26)23(21)27)24(30)19-10-8-18(9-11-19)17-6-4-16(5-7-17)15-25(2,28)29/h16-24,30H,3-15H2,1-2H3.
What are the key properties of (2,3-difluoro-4-propoxycyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol?
(2,3-difluoro-4-propoxycyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol has a molecular weight of 450.60 g/mol, XLogP of 6.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-propoxycyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol is sourced from PubChem (CID 140707005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).