3-[cyclopropyl(2,2-difluoroethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C16H29F2NO — CID 165491565

IUPAC3-[cyclopropyl(2,2-difluoroethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)CC1N(CC(F)F)C1CC1
InChIInChI=1S/C16H29F2NO/c1-4-16(2,3)13-8-7-12(20)9-14(13)19(10-15(17)18)11-5-6-11/h11-15,20H,4-10H2,1-3H3
InChIKeyVWGYGRDBRAZWNB-UHFFFAOYSA-N
MW289.41 g/mol
LogP3.68
Rot. Bonds6

About 3-[cyclopropyl(2,2-difluoroethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

3-[cyclopropyl(2,2-difluoroethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 165491565) has the molecular formula C16H29F2NO and a molecular weight of 289.41 g/mol. Its IUPAC name is 3-[cyclopropyl(2,2-difluoroethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[cyclopropyl(2,2-difluoroethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID165491565
Molecular FormulaC16H29F2NO
Molecular Weight289.41 g/mol
Exact Mass289.22
IUPAC Name3-[cyclopropyl(2,2-difluoroethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)CC1N(CC(F)F)C1CC1
InChIInChI=1S/C16H29F2NO/c1-4-16(2,3)13-8-7-12(20)9-14(13)19(10-15(17)18)11-5-6-11/h11-15,20H,4-10H2,1-3H3
InChIKeyVWGYGRDBRAZWNB-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2,2-difluoroethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 3-[cyclopropyl(2,2-difluoroethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 165491565) is 3-[cyclopropyl(2,2-difluoroethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-[cyclopropyl(2,2-difluoroethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 3-[cyclopropyl(2,2-difluoroethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)CC1N(CC(F)F)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2,2-difluoroethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is VWGYGRDBRAZWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F2NO/c1-4-16(2,3)13-8-7-12(20)9-14(13)19(10-15(17)18)11-5-6-11/h11-15,20H,4-10H2,1-3H3.
What are the key properties of 3-[cyclopropyl(2,2-difluoroethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
3-[cyclopropyl(2,2-difluoroethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 289.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2,2-difluoroethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 165491565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).