4-(1,1-difluoropropan-2-ylamino)cyclohexan-1-ol

C9H17F2NO — CID 102867805

IUPAC4-(1,1-difluoropropan-2-ylamino)cyclohexan-1-ol
SMILESCC(NC1CCC(O)CC1)C(F)F
InChIInChI=1S/C9H17F2NO/c1-6(9(10)11)12-7-2-4-8(13)5-3-7/h6-9,12-13H,2-5H2,1H3
InChIKeyMVEKANSIYLKLCN-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.53
Rot. Bonds3

About 4-(1,1-difluoropropan-2-ylamino)cyclohexan-1-ol

4-(1,1-difluoropropan-2-ylamino)cyclohexan-1-ol (PubChem CID 102867805) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4-(1,1-difluoropropan-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(1,1-difluoropropan-2-ylamino)cyclohexan-1-ol
PubChem CID102867805
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4-(1,1-difluoropropan-2-ylamino)cyclohexan-1-ol
SMILESCC(NC1CCC(O)CC1)C(F)F
InChIInChI=1S/C9H17F2NO/c1-6(9(10)11)12-7-2-4-8(13)5-3-7/h6-9,12-13H,2-5H2,1H3
InChIKeyMVEKANSIYLKLCN-UHFFFAOYSA-N
XLogP1.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoro-N-(4-hydroxycyclohexyl)acetamide
CID 59818256
4-(Methylamino)cyclohexan-1-ol
CID 11571804
4-(2-Methylpropylamino)cyclohexan-1-ol
CID 8024862
N-methyl-4-(trifluoromethoxy)cyclohexan-1-amine
CID 59453608
4-(2,2-difluoropropoxy)-N-methylcyclohexan-1-amine
CID 59453620
4-(difluoromethoxy)-N-methylcyclohexan-1-amine
CID 59453686
(1S,2R)-3,3-difluoro-2-(propan-2-ylamino)cyclohexan-1-ol
CID 59603982
(1S,2R,6S)-2-fluoro-6-(propan-2-ylamino)cyclohexan-1-ol
CID 121357671
(1S,6R)-2,2-difluoro-6-(propan-2-ylamino)cyclohexan-1-ol
CID 121357673
(1R,2R,6R)-2-fluoro-6-(propan-2-ylamino)cyclohexan-1-ol
CID 121357679
(1S,2S,6S)-2-fluoro-6-(propan-2-ylamino)cyclohexan-1-ol
CID 121357687
(1S,2S,6R)-2-(ethylamino)-6-fluorocyclohexan-1-ol
CID 121359009

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoropropan-2-ylamino)cyclohexan-1-ol?
The IUPAC name of 4-(1,1-difluoropropan-2-ylamino)cyclohexan-1-ol (CID 102867805) is 4-(1,1-difluoropropan-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(1,1-difluoropropan-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(1,1-difluoropropan-2-ylamino)cyclohexan-1-ol is CC(NC1CCC(O)CC1)C(F)F.
What is the InChIKey of 4-(1,1-difluoropropan-2-ylamino)cyclohexan-1-ol?
The InChIKey is MVEKANSIYLKLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-6(9(10)11)12-7-2-4-8(13)5-3-7/h6-9,12-13H,2-5H2,1H3.
What are the key properties of 4-(1,1-difluoropropan-2-ylamino)cyclohexan-1-ol?
4-(1,1-difluoropropan-2-ylamino)cyclohexan-1-ol has a molecular weight of 193.24 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoropropan-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 102867805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).