1-cyclopentyl-3,3-difluorobutan-2-amine

C9H17F2N — CID 84656075

IUPAC1-cyclopentyl-3,3-difluorobutan-2-amine
SMILESCC(F)(F)C(N)CC1CCCC1
InChIInChI=1S/C9H17F2N/c1-9(10,11)8(12)6-7-4-2-3-5-7/h7-8H,2-6,12H2,1H3
InChIKeyAZXCCLMEMKWTCJ-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.55
Rot. Bonds3

About 1-cyclopentyl-3,3-difluorobutan-2-amine

1-cyclopentyl-3,3-difluorobutan-2-amine (PubChem CID 84656075) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 1-cyclopentyl-3,3-difluorobutan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-3,3-difluorobutan-2-amine
PubChem CID84656075
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name1-cyclopentyl-3,3-difluorobutan-2-amine
SMILESCC(F)(F)C(N)CC1CCCC1
InChIInChI=1S/C9H17F2N/c1-9(10,11)8(12)6-7-4-2-3-5-7/h7-8H,2-6,12H2,1H3
InChIKeyAZXCCLMEMKWTCJ-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3-methoxy-3-methylbutan-2-amine
CID 103717838
(3S)-3-amino-4-cyclopropyl-2-methylbutan-2-ol
CID 86674766
1-cyclohexyl-3,3-difluorobutan-2-ol
CID 131122835
1-cyclohexyl-3-methoxy-3-methylpentan-2-amine
CID 116757435
1-cyclopentyl-2,2-difluoropropan-1-amine
CID 84651643
(1-cyclononyl-4,4,4-trifluorobutan-2-yl)-methylxenon
CID 163910604
1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79055721
1,3-dicyclopentylpropan-2-amine
CID 58122660
1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
CID 79068981
1-cyclopentyl-5,5-dimethylhexan-2-amine
CID 115850049
(2S,3R,5S)-2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
CID 18655656
(2R,3S)-3-amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol
CID 2315335

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3,3-difluorobutan-2-amine?
The IUPAC name of 1-cyclopentyl-3,3-difluorobutan-2-amine (CID 84656075) is 1-cyclopentyl-3,3-difluorobutan-2-amine.
What is the SMILES notation for 1-cyclopentyl-3,3-difluorobutan-2-amine?
The canonical SMILES for 1-cyclopentyl-3,3-difluorobutan-2-amine is CC(F)(F)C(N)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3,3-difluorobutan-2-amine?
The InChIKey is AZXCCLMEMKWTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-9(10,11)8(12)6-7-4-2-3-5-7/h7-8H,2-6,12H2,1H3.
What are the key properties of 1-cyclopentyl-3,3-difluorobutan-2-amine?
1-cyclopentyl-3,3-difluorobutan-2-amine has a molecular weight of 177.24 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3,3-difluorobutan-2-amine is sourced from PubChem (CID 84656075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).