1,2-difluoro-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene

C19H23F5O — CID 11122013

IUPAC1,2-difluoro-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene
SMILESFc1ccc(C2CCC(C3CCC(OC(F)(F)F)CC3)CC2)cc1F
InChIInChI=1S/C19H23F5O/c20-17-10-7-15(11-18(17)21)14-3-1-12(2-4-14)13-5-8-16(9-6-13)25-19(22,23)24/h7,10-14,16H,1-6,8-9H2
InChIKeyNJKFFUAVLCFQEG-UHFFFAOYSA-N
MW362.38 g/mol
LogP6.33
Rot. Bonds3

About 1,2-difluoro-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene

1,2-difluoro-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene (PubChem CID 11122013) has the molecular formula C19H23F5O and a molecular weight of 362.38 g/mol. Its IUPAC name is 1,2-difluoro-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene
PubChem CID11122013
Molecular FormulaC19H23F5O
Molecular Weight362.38 g/mol
Exact Mass362.17
IUPAC Name1,2-difluoro-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene
SMILESFc1ccc(C2CCC(C3CCC(OC(F)(F)F)CC3)CC2)cc1F
InChIInChI=1S/C19H23F5O/c20-17-10-7-15(11-18(17)21)14-3-1-12(2-4-14)13-5-8-16(9-6-13)25-19(22,23)24/h7,10-14,16H,1-6,8-9H2
InChIKeyNJKFFUAVLCFQEG-UHFFFAOYSA-N
XLogP6.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.38
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-Fluorophenyl)cyclohexan-1-ol
CID 3913467
MeP2OcHPa
CID 14847948
3P2OcHPa
CID 14847950
MeP4OcHPa
CID 14847962
5PMeOcHPa
CID 14847994
FPMeOcHPa
CID 23391107
FP5OcHPa
CID 23391108
FP3OcHPa
CID 23391109
FP4OcHPa
CID 23391127
FP2OcHPa
CID 23391131
4-[4-(3,4,5-Trifluorophenyl)phenyl]oxane
CID 163420629
(2S,3S,4S,6R)-4-fluoro-3-methyl-2,6-bis(2-phenylethyl)oxane
CID 101396580

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene?
The IUPAC name of 1,2-difluoro-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene (CID 11122013) is 1,2-difluoro-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene is Fc1ccc(C2CCC(C3CCC(OC(F)(F)F)CC3)CC2)cc1F.
What is the InChIKey of 1,2-difluoro-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene?
The InChIKey is NJKFFUAVLCFQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F5O/c20-17-10-7-15(11-18(17)21)14-3-1-12(2-4-14)13-5-8-16(9-6-13)25-19(22,23)24/h7,10-14,16H,1-6,8-9H2.
What are the key properties of 1,2-difluoro-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene?
1,2-difluoro-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene has a molecular weight of 362.38 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene is sourced from PubChem (CID 11122013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).