1-[[2,2-difluoroethyl(methyl)amino]methyl]cyclopentan-1-ol

C9H17F2NO — CID 115749580

IUPAC1-[[2,2-difluoroethyl(methyl)amino]methyl]cyclopentan-1-ol
SMILESCN(CC(F)F)CC1(O)CCCC1
InChIInChI=1S/C9H17F2NO/c1-12(6-8(10)11)7-9(13)4-2-3-5-9/h8,13H,2-7H2,1H3
InChIKeyFCDROTNQBNLYCS-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.49
Rot. Bonds4

About 1-[[2,2-difluoroethyl(methyl)amino]methyl]cyclopentan-1-ol

1-[[2,2-difluoroethyl(methyl)amino]methyl]cyclopentan-1-ol (PubChem CID 115749580) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-[[2,2-difluoroethyl(methyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2,2-difluoroethyl(methyl)amino]methyl]cyclopentan-1-ol
PubChem CID115749580
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1-[[2,2-difluoroethyl(methyl)amino]methyl]cyclopentan-1-ol
SMILESCN(CC(F)F)CC1(O)CCCC1
InChIInChI=1S/C9H17F2NO/c1-12(6-8(10)11)7-9(13)4-2-3-5-9/h8,13H,2-7H2,1H3
InChIKeyFCDROTNQBNLYCS-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[Hexyl(pentyl)amino]-1-(trifluoromethyl)cyclopentan-1-ol
CID 69368116
1-(Dimethylamino)-3,3-difluoro-2,4-dimethylpentan-2-ol
CID 156547545
1-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexan-1-ol
CID 61518526
1-Methyl-3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol
CID 64566578
1-[(3,3,3-Trifluoropropylamino)methyl]cyclopentan-1-ol
CID 65108895
1-{[(2,2,2-Trifluoroethyl)amino]methyl}cyclopentan-1-ol
CID 65108996
1-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 65208246
1-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 65208308
1-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 65208426
1-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol
CID 65212677
1-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol
CID 65212732
1-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol
CID 65212733

Frequently Asked Questions

What is the IUPAC name of 1-[[2,2-difluoroethyl(methyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2,2-difluoroethyl(methyl)amino]methyl]cyclopentan-1-ol (CID 115749580) is 1-[[2,2-difluoroethyl(methyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2,2-difluoroethyl(methyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2,2-difluoroethyl(methyl)amino]methyl]cyclopentan-1-ol is CN(CC(F)F)CC1(O)CCCC1.
What is the InChIKey of 1-[[2,2-difluoroethyl(methyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is FCDROTNQBNLYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-12(6-8(10)11)7-9(13)4-2-3-5-9/h8,13H,2-7H2,1H3.
What are the key properties of 1-[[2,2-difluoroethyl(methyl)amino]methyl]cyclopentan-1-ol?
1-[[2,2-difluoroethyl(methyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 193.24 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,2-difluoroethyl(methyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 115749580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).