1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopentan-1-ol

C9H17F2NO — CID 102869656

IUPAC1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(NCC1(O)CCCC1)C(F)F
InChIInChI=1S/C9H17F2NO/c1-7(8(10)11)12-6-9(13)4-2-3-5-9/h7-8,12-13H,2-6H2,1H3
InChIKeyHZIIKMORGUPKNW-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.53
Rot. Bonds4

About 1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopentan-1-ol

1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopentan-1-ol (PubChem CID 102869656) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopentan-1-ol
PubChem CID102869656
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(NCC1(O)CCCC1)C(F)F
InChIInChI=1S/C9H17F2NO/c1-7(8(10)11)12-6-9(13)4-2-3-5-9/h7-8,12-13H,2-6H2,1H3
InChIKeyHZIIKMORGUPKNW-UHFFFAOYSA-N
XLogP1.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol hydrochloride
CID 155821242
1,1,1-Trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-2-methylpropan-2-ol
CID 136540126
1,1,1-trifluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
CID 70321196
2-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol
CID 89826230
2-(4,4-Difluoropyrrolidin-2-yl)propan-2-ol
CID 89826233
4,4-Difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol
CID 134570750
(2S)-1,1,1-trifluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
CID 142507424
2-(Aminomethyl)-1,1,1-trifluoro-3-(methylamino)hexan-2-ol
CID 163994336
trans-(1S,2R)-2-(2-methylpropylamino)-1-(trifluoromethyl)cyclopentan-1-ol
CID 167273949
4,4-Difluoro-1-[(propan-2-ylamino)methyl]cyclohexan-1-ol
CID 177955087
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine
CID 62111090
1-[(Propan-2-ylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 64757357

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopentan-1-ol (CID 102869656) is 1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopentan-1-ol is CC(NCC1(O)CCCC1)C(F)F.
What is the InChIKey of 1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is HZIIKMORGUPKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(8(10)11)12-6-9(13)4-2-3-5-9/h7-8,12-13H,2-6H2,1H3.
What are the key properties of 1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopentan-1-ol?
1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 193.24 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 102869656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).