1-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-4-propylcyclohexan-1-ol

C21H22F4O — CID 154489446

IUPAC1-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(c2c(F)cc(-c3c(F)cccc3F)cc2F)CC1
InChIInChI=1S/C21H22F4O/c1-2-4-13-7-9-21(26,10-8-13)20-17(24)11-14(12-18(20)25)19-15(22)5-3-6-16(19)23/h3,5-6,11-13,26H,2,4,7-10H2,1H3
InChIKeyWEJTUCBGTDMEBH-UHFFFAOYSA-N
MW366.40 g/mol
LogP6.09
Rot. Bonds4

About 1-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-4-propylcyclohexan-1-ol

1-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-4-propylcyclohexan-1-ol (PubChem CID 154489446) has the molecular formula C21H22F4O and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-4-propylcyclohexan-1-ol
PubChem CID154489446
Molecular FormulaC21H22F4O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name1-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(c2c(F)cc(-c3c(F)cccc3F)cc2F)CC1
InChIInChI=1S/C21H22F4O/c1-2-4-13-7-9-21(26,10-8-13)20-17(24)11-14(12-18(20)25)19-15(22)5-3-6-16(19)23/h3,5-6,11-13,26H,2,4,7-10H2,1H3
InChIKeyWEJTUCBGTDMEBH-UHFFFAOYSA-N
XLogP6.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.40
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylphenyl)-4-propylcyclohexan-1-ol
CID 60794525
1-(2,3-difluoro-4-methylphenyl)-4-propylcyclohexan-1-ol
CID 107512064
1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090912
1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol
CID 55186945
1-[(2,3-difluorophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65423548
1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene
CID 139711046
3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol
CID 114723863
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
CID 67697847
1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-ol
CID 81142519
2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene
CID 139696595
1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65425291
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 1-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-4-propylcyclohexan-1-ol (CID 154489446) is 1-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 1-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 1-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)(c2c(F)cc(-c3c(F)cccc3F)cc2F)CC1.
What is the InChIKey of 1-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-4-propylcyclohexan-1-ol?
The InChIKey is WEJTUCBGTDMEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4O/c1-2-4-13-7-9-21(26,10-8-13)20-17(24)11-14(12-18(20)25)19-15(22)5-3-6-16(19)23/h3,5-6,11-13,26H,2,4,7-10H2,1H3.
What are the key properties of 1-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-4-propylcyclohexan-1-ol?
1-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-4-propylcyclohexan-1-ol has a molecular weight of 366.40 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 154489446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).