1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene

C22H31F3O — CID 604781

IUPAC1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene
SMILESCCCC1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C22H31F3O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)26-22(23,24)25/h12-19H,2-11H2,1H3
InChIKeyAJQMFUYBFQQAKA-UHFFFAOYSA-N
MW368.48 g/mol
LogP7.47
Rot. Bonds5

About 1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene

1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene (PubChem CID 604781) has the molecular formula C22H31F3O and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene
PubChem CID604781
Molecular FormulaC22H31F3O
Molecular Weight368.48 g/mol
Exact Mass368.23
IUPAC Name1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene
SMILESCCCC1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C22H31F3O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)26-22(23,24)25/h12-19H,2-11H2,1H3
InChIKeyAJQMFUYBFQQAKA-UHFFFAOYSA-N
XLogP7.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 11943
CID 11943
CID 10140464
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CID 13264
CID 13264
CID 16484
CID 16484
CID 82012
CID 82012
CID 93247
CID 93247
CID 3032539
CID 3032539
CID 96831
CID 96831
CID 639952
CID 639952
CID 20654145
CID 20654145
CID 66867
CID 66867
CID 221573
CID 221573

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene (CID 604781) is 1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene is CCCC1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of 1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene?
The InChIKey is AJQMFUYBFQQAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F3O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)26-22(23,24)25/h12-19H,2-11H2,1H3.
What are the key properties of 1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene?
1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene has a molecular weight of 368.48 g/mol, XLogP of 7.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 604781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).