3-(cyclopentylmethylamino)-1,1-difluoropropan-2-ol

C9H17F2NO — CID 103923465

IUPAC3-(cyclopentylmethylamino)-1,1-difluoropropan-2-ol
SMILESOC(CNCC1CCCC1)C(F)F
InChIInChI=1S/C9H17F2NO/c10-9(11)8(13)6-12-5-7-3-1-2-4-7/h7-9,12-13H,1-6H2
InChIKeyAZYZNDNZOBSWTF-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.39
Rot. Bonds5

About 3-(cyclopentylmethylamino)-1,1-difluoropropan-2-ol

3-(cyclopentylmethylamino)-1,1-difluoropropan-2-ol (PubChem CID 103923465) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3-(cyclopentylmethylamino)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-(cyclopentylmethylamino)-1,1-difluoropropan-2-ol
PubChem CID103923465
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3-(cyclopentylmethylamino)-1,1-difluoropropan-2-ol
SMILESOC(CNCC1CCCC1)C(F)F
InChIInChI=1S/C9H17F2NO/c10-9(11)8(13)6-12-5-7-3-1-2-4-7/h7-9,12-13H,1-6H2
InChIKeyAZYZNDNZOBSWTF-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4,4-Difluoro-cyclohexylmethyl)-amino]-ethanol
CID 67152047
2-[(3,3-Difluorocyclohexyl)methylamino]ethanol
CID 68729593
1,1,1-Trifluoro-3-(6-methyloctylamino)propan-2-ol
CID 89935850
CID 4712667
CID 4712667
cyclohexylmethyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]azanium
CID 7153079
(2S)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 7153080
cyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
CID 7153088
(2R)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 7153089
N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490524
1,1,1-Trifluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol
CID 63899443
1,1,1-Trifluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63899444
1,1,1-Trifluoro-3-[(1-methylcyclopentyl)amino]propan-2-ol
CID 63900039

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylamino)-1,1-difluoropropan-2-ol?
The IUPAC name of 3-(cyclopentylmethylamino)-1,1-difluoropropan-2-ol (CID 103923465) is 3-(cyclopentylmethylamino)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-(cyclopentylmethylamino)-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-(cyclopentylmethylamino)-1,1-difluoropropan-2-ol is OC(CNCC1CCCC1)C(F)F.
What is the InChIKey of 3-(cyclopentylmethylamino)-1,1-difluoropropan-2-ol?
The InChIKey is AZYZNDNZOBSWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-9(11)8(13)6-12-5-7-3-1-2-4-7/h7-9,12-13H,1-6H2.
What are the key properties of 3-(cyclopentylmethylamino)-1,1-difluoropropan-2-ol?
3-(cyclopentylmethylamino)-1,1-difluoropropan-2-ol has a molecular weight of 193.24 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylamino)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103923465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).