3-[2,2-difluoropropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C15H29F2NO — CID 165491570

IUPAC3-[2,2-difluoropropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)CC1N(C)CC(C)(F)F
InChIInChI=1S/C15H29F2NO/c1-6-14(2,3)12-8-7-11(19)9-13(12)18(5)10-15(4,16)17/h11-13,19H,6-10H2,1-5H3
InChIKeyOJEWNNFLJBKKNB-UHFFFAOYSA-N
MW277.40 g/mol
LogP3.54
Rot. Bonds5

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

3-[2,2-difluoropropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 165491570) has the molecular formula C15H29F2NO and a molecular weight of 277.40 g/mol. Its IUPAC name is 3-[2,2-difluoropropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[2,2-difluoropropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID165491570
Molecular FormulaC15H29F2NO
Molecular Weight277.40 g/mol
Exact Mass277.22
IUPAC Name3-[2,2-difluoropropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)CC1N(C)CC(C)(F)F
InChIInChI=1S/C15H29F2NO/c1-6-14(2,3)12-8-7-11(19)9-13(12)18(5)10-15(4,16)17/h11-13,19H,6-10H2,1-5H3
InChIKeyOJEWNNFLJBKKNB-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,3-Difluoroazetidin-1-yl)-2-propan-2-ylcyclohexan-1-ol
CID 178922854
2-[Ethyl(2,2,2-trifluoroethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 61766516
4-(2-Methylbutan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61766887
4-Tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609042
4-Tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609391
4-Tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609553
4-Tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609736
4-Propan-2-yl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62703991
4-Tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 63487884
4,4-Dimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 64399048
4-Tert-butyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexan-1-ol
CID 65530303
4-(2-Methylbutan-2-yl)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol
CID 65530975

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoropropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 3-[2,2-difluoropropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 165491570) is 3-[2,2-difluoropropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-[2,2-difluoropropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 3-[2,2-difluoropropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)CC1N(C)CC(C)(F)F.
What is the InChIKey of 3-[2,2-difluoropropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is OJEWNNFLJBKKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F2NO/c1-6-14(2,3)12-8-7-11(19)9-13(12)18(5)10-15(4,16)17/h11-13,19H,6-10H2,1-5H3.
What are the key properties of 3-[2,2-difluoropropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
3-[2,2-difluoropropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 277.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoropropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 165491570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).