3,3-difluoro-N-methylcyclopentan-1-amine;hydrochloride

C6H12ClF2N — CID 138040990

IUPAC3,3-difluoro-N-methylcyclopentan-1-amine;hydrochloride
SMILESCNC1CCC(F)(F)C1.Cl
InChIInChI=1S/C6H11F2N.ClH/c1-9-5-2-3-6(7,8)4-5;/h5,9H,2-4H2,1H3;1H
InChIKeyMLNRYZJPPPGQKP-UHFFFAOYSA-N
MW171.62 g/mol
LogP1.82
Rot. Bonds1

About 3,3-difluoro-N-methylcyclopentan-1-amine;hydrochloride

3,3-difluoro-N-methylcyclopentan-1-amine;hydrochloride (PubChem CID 138040990) has the molecular formula C6H12ClF2N and a molecular weight of 171.62 g/mol. Its IUPAC name is 3,3-difluoro-N-methylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name3,3-difluoro-N-methylcyclopentan-1-amine;hydrochloride
PubChem CID138040990
Molecular FormulaC6H12ClF2N
Molecular Weight171.62 g/mol
Exact Mass171.06
IUPAC Name3,3-difluoro-N-methylcyclopentan-1-amine;hydrochloride
SMILESCNC1CCC(F)(F)C1.Cl
InChIInChI=1S/C6H11F2N.ClH/c1-9-5-2-3-6(7,8)4-5;/h5,9H,2-4H2,1H3;1H
InChIKeyMLNRYZJPPPGQKP-UHFFFAOYSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.62
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methylcyclopentanamine
CID 7020624
2,2-Difluorocyclopentan-1-amine hydrochloride
CID 71656097
N-(2,2,2-trifluoroethyl)cyclopentanamine
CID 24697797
2-(Trifluoromethyl)pyrrolidine hydrochloride
CID 25210509
N-methylcyclopentanamine hydrochloride
CID 43810760
3,3-Difluorocyclopentan-1-amine hydrochloride
CID 53403836
(2S)-2-(Difluoromethyl)pyrrolidine hydrochloride
CID 71757451
(S)-3,3-difluorocyclopentanamine hydrochloride
CID 72208152
3,3-Difluoro-2-methylpyrrolidine hydrochloride
CID 105430857
4,4-Difluoro-2-methylpyrrolidine hydrochloride
CID 105430858
(2R)-2-(difluoromethyl)pyrrolidine hydrochloride
CID 118798026
4,4-difluoro-N-methylcyclohexan-1-amine hydrochloride
CID 119031428

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methylcyclopentan-1-amine;hydrochloride?
The IUPAC name of 3,3-difluoro-N-methylcyclopentan-1-amine;hydrochloride (CID 138040990) is 3,3-difluoro-N-methylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 3,3-difluoro-N-methylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for 3,3-difluoro-N-methylcyclopentan-1-amine;hydrochloride is CNC1CCC(F)(F)C1.Cl.
What is the InChIKey of 3,3-difluoro-N-methylcyclopentan-1-amine;hydrochloride?
The InChIKey is MLNRYZJPPPGQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.ClH/c1-9-5-2-3-6(7,8)4-5;/h5,9H,2-4H2,1H3;1H.
What are the key properties of 3,3-difluoro-N-methylcyclopentan-1-amine;hydrochloride?
3,3-difluoro-N-methylcyclopentan-1-amine;hydrochloride has a molecular weight of 171.62 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 138040990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).