3-fluoro-N-(1,1,1-trifluoropropan-2-yl)cyclopentan-1-amine

C8H13F4N — CID 130668515

IUPAC3-fluoro-N-(1,1,1-trifluoropropan-2-yl)cyclopentan-1-amine
SMILESCC(NC1CCC(F)C1)C(F)(F)F
InChIInChI=1S/C8H13F4N/c1-5(8(10,11)12)13-7-3-2-6(9)4-7/h5-7,13H,2-4H2,1H3
InChIKeyOOIINNYYSGLKAP-UHFFFAOYSA-N
MW199.19 g/mol
LogP2.42
Rot. Bonds2

About 3-fluoro-N-(1,1,1-trifluoropropan-2-yl)cyclopentan-1-amine

3-fluoro-N-(1,1,1-trifluoropropan-2-yl)cyclopentan-1-amine (PubChem CID 130668515) has the molecular formula C8H13F4N and a molecular weight of 199.19 g/mol. Its IUPAC name is 3-fluoro-N-(1,1,1-trifluoropropan-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-(1,1,1-trifluoropropan-2-yl)cyclopentan-1-amine
PubChem CID130668515
Molecular FormulaC8H13F4N
Molecular Weight199.19 g/mol
Exact Mass199.10
IUPAC Name3-fluoro-N-(1,1,1-trifluoropropan-2-yl)cyclopentan-1-amine
SMILESCC(NC1CCC(F)C1)C(F)(F)F
InChIInChI=1S/C8H13F4N/c1-5(8(10,11)12)13-7-3-2-6(9)4-7/h5-7,13H,2-4H2,1H3
InChIKeyOOIINNYYSGLKAP-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1,1,1-trifluoropropan-2-yl)thiolan-3-amine
CID 130708891
N-(3,3-difluorobutan-2-yl)-4-methylcyclohexan-1-amine
CID 131161365
N-(1,1,1-trifluoropropan-2-yl)bicyclo[4.1.0]heptan-7-amine
CID 131020843
N-(1,1,1-trifluoropropan-2-yl)bicyclo[3.1.0]hexan-6-amine
CID 130676467
N-(3-fluorocyclopentyl)-2,2-dimethylpropanamide
CID 126992134
N-(3,3-dimethylbutan-2-yl)-3-ethylsulfanylcyclopentan-1-amine
CID 115910663
trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394445
(1R)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394376
(1R)-1-fluoro-3-methylcyclopentane
CID 126671048
N-(3,3-dimethylbutan-2-yl)cyclododecanamine
CID 104827794
N-(3,3-dimethylbutan-2-yl)cyclooctanamine
CID 104827916
N-[(1S)-1-cyclohexylethyl]-3-methylcyclopentan-1-amine
CID 81387418

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1,1,1-trifluoropropan-2-yl)cyclopentan-1-amine?
The IUPAC name of 3-fluoro-N-(1,1,1-trifluoropropan-2-yl)cyclopentan-1-amine (CID 130668515) is 3-fluoro-N-(1,1,1-trifluoropropan-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-fluoro-N-(1,1,1-trifluoropropan-2-yl)cyclopentan-1-amine?
The canonical SMILES for 3-fluoro-N-(1,1,1-trifluoropropan-2-yl)cyclopentan-1-amine is CC(NC1CCC(F)C1)C(F)(F)F.
What is the InChIKey of 3-fluoro-N-(1,1,1-trifluoropropan-2-yl)cyclopentan-1-amine?
The InChIKey is OOIINNYYSGLKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4N/c1-5(8(10,11)12)13-7-3-2-6(9)4-7/h5-7,13H,2-4H2,1H3.
What are the key properties of 3-fluoro-N-(1,1,1-trifluoropropan-2-yl)cyclopentan-1-amine?
3-fluoro-N-(1,1,1-trifluoropropan-2-yl)cyclopentan-1-amine has a molecular weight of 199.19 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1,1,1-trifluoropropan-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 130668515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).