1-(2,2-difluorocyclopentyl)-N-methylmethanamine;1-(2-fluorocyclopentyl)-N-methylmethanamine

C14H27F3N2 — CID 154691946

IUPAC1-(2,2-difluorocyclopentyl)-N-methylmethanamine;1-(2-fluorocyclopentyl)-N-methylmethanamine
SMILESCNCC1CCCC1(F)F.CNCC1CCCC1F
InChIInChI=1S/C7H13F2N.C7H14FN/c1-10-5-6-3-2-4-7(6,8)9;1-9-5-6-3-2-4-7(6)8/h6,10H,2-5H2,1H3;6-7,9H,2-5H2,1H3
InChIKeyVSJBGHDJQUWOLN-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.99
Rot. Bonds4

About 1-(2,2-difluorocyclopentyl)-N-methylmethanamine;1-(2-fluorocyclopentyl)-N-methylmethanamine

1-(2,2-difluorocyclopentyl)-N-methylmethanamine;1-(2-fluorocyclopentyl)-N-methylmethanamine (PubChem CID 154691946) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-(2,2-difluorocyclopentyl)-N-methylmethanamine;1-(2-fluorocyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,2-difluorocyclopentyl)-N-methylmethanamine;1-(2-fluorocyclopentyl)-N-methylmethanamine
PubChem CID154691946
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name1-(2,2-difluorocyclopentyl)-N-methylmethanamine;1-(2-fluorocyclopentyl)-N-methylmethanamine
SMILESCNCC1CCCC1(F)F.CNCC1CCCC1F
InChIInChI=1S/C7H13F2N.C7H14FN/c1-10-5-6-3-2-4-7(6,8)9;1-9-5-6-3-2-4-7(6)8/h6,10H,2-5H2,1H3;6-7,9H,2-5H2,1H3
InChIKeyVSJBGHDJQUWOLN-UHFFFAOYSA-N
XLogP2.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluorocyclohexyl)-N-methylmethanamine;hydrochloride
CID 163321422
N-[(2,2-difluorocyclopentyl)methyl]formamide
CID 130921420
N-methyl-1-spiro[4.5]decan-10-ylmethanamine
CID 83906628
1-(2,2-dimethylcycloheptyl)-N-methylmethanamine
CID 83905807
N-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine
CID 127002696
(1S)-2-(methylaminomethyl)cyclohexan-1-amine
CID 129138174
cis-(1S,2R)-2-(methylaminomethyl)cyclopentan-1-ol
CID 13133890
4-chloro-N-[(2,2-difluorocyclopentyl)methyl]oxolan-3-amine
CID 130751523
N-methyl-1-[2-(2-methylpropyl)cyclopentyl]methanamine
CID 81033789
1-[2-(2,2-dimethylpyrrolidin-1-yl)cyclopentyl]-N-methylmethanamine
CID 112546149
1-[2-(methylaminomethyl)cyclopentyl]propan-1-one
CID 166977994
2-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane
CID 127017203

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorocyclopentyl)-N-methylmethanamine;1-(2-fluorocyclopentyl)-N-methylmethanamine?
The IUPAC name of 1-(2,2-difluorocyclopentyl)-N-methylmethanamine;1-(2-fluorocyclopentyl)-N-methylmethanamine (CID 154691946) is 1-(2,2-difluorocyclopentyl)-N-methylmethanamine;1-(2-fluorocyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,2-difluorocyclopentyl)-N-methylmethanamine;1-(2-fluorocyclopentyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,2-difluorocyclopentyl)-N-methylmethanamine;1-(2-fluorocyclopentyl)-N-methylmethanamine is CNCC1CCCC1(F)F.CNCC1CCCC1F.
What is the InChIKey of 1-(2,2-difluorocyclopentyl)-N-methylmethanamine;1-(2-fluorocyclopentyl)-N-methylmethanamine?
The InChIKey is VSJBGHDJQUWOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.C7H14FN/c1-10-5-6-3-2-4-7(6,8)9;1-9-5-6-3-2-4-7(6)8/h6,10H,2-5H2,1H3;6-7,9H,2-5H2,1H3.
What are the key properties of 1-(2,2-difluorocyclopentyl)-N-methylmethanamine;1-(2-fluorocyclopentyl)-N-methylmethanamine?
1-(2,2-difluorocyclopentyl)-N-methylmethanamine;1-(2-fluorocyclopentyl)-N-methylmethanamine has a molecular weight of 280.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorocyclopentyl)-N-methylmethanamine;1-(2-fluorocyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 154691946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).