2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol

C10H19F2NO — CID 102869994

IUPAC2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol
SMILESCC(NC1CCCCCC1O)C(F)F
InChIInChI=1S/C10H19F2NO/c1-7(10(11)12)13-8-5-3-2-4-6-9(8)14/h7-10,13-14H,2-6H2,1H3
InChIKeyNOXZESUXXOSAPM-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.92
Rot. Bonds3

About 2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol

2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol (PubChem CID 102869994) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol
PubChem CID102869994
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol
SMILESCC(NC1CCCCCC1O)C(F)F
InChIInChI=1S/C10H19F2NO/c1-7(10(11)12)13-8-5-3-2-4-6-9(8)14/h7-10,13-14H,2-6H2,1H3
InChIKeyNOXZESUXXOSAPM-UHFFFAOYSA-N
XLogP1.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol
CID 130690757
(2R)-2-(propan-2-ylamino)cycloheptan-1-ol
CID 166814951
trans-(1S,2S)-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol
CID 102733069
trans-(1R,2R)-2-[[(2S)-3-methylbutan-2-yl]amino]cyclopentan-1-ol
CID 167275295
N-(1,1-difluoropropan-2-yl)-2-methylcyclohexan-1-amine
CID 102867843
cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol
CID 124709342
2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol
CID 81392910
2-[[(1R)-1-cyclopentylethyl]amino]cycloheptan-1-ol
CID 81395053
[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methanol
CID 103096667
2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]cycloheptan-1-ol
CID 106160712
trans-(1R,2R)-2-[[(1S)-1-cyclopropylethyl]amino]cyclohexan-1-ol
CID 124679605
cis-(1R,2S)-2-(methylamino)cyclononan-1-ol
CID 138485260

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol?
The IUPAC name of 2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol (CID 102869994) is 2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol.
What is the SMILES notation for 2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol?
The canonical SMILES for 2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol is CC(NC1CCCCCC1O)C(F)F.
What is the InChIKey of 2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol?
The InChIKey is NOXZESUXXOSAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-7(10(11)12)13-8-5-3-2-4-6-9(8)14/h7-10,13-14H,2-6H2,1H3.
What are the key properties of 2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol?
2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol has a molecular weight of 207.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol is sourced from PubChem (CID 102869994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).