1-[(1S)-3,3-difluorocyclopentyl]ethanimine

C7H11F2N — CID 144713079

IUPAC1-[(1S)-3,3-difluorocyclopentyl]ethanimine
SMILES[H]/N=C(\C)[C@H]1CCC(F)(F)C1
InChIInChI=1S/C7H11F2N/c1-5(10)6-2-3-7(8,9)4-6/h6,10H,2-4H2,1H3/b10-5+/t6-/m0/s1
InChIKeyZRVXRNGDGJSOBF-UEEORIODSA-N
MW147.17 g/mol
LogP2.46
Rot. Bonds1

About 1-[(1S)-3,3-difluorocyclopentyl]ethanimine

1-[(1S)-3,3-difluorocyclopentyl]ethanimine (PubChem CID 144713079) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 1-[(1S)-3,3-difluorocyclopentyl]ethanimine.

Molecular Properties

Compound Name1-[(1S)-3,3-difluorocyclopentyl]ethanimine
PubChem CID144713079
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name1-[(1S)-3,3-difluorocyclopentyl]ethanimine
SMILES[H]/N=C(\C)[C@H]1CCC(F)(F)C1
InChIInChI=1S/C7H11F2N/c1-5(10)6-2-3-7(8,9)4-6/h6,10H,2-4H2,1H3/b10-5+/t6-/m0/s1
InChIKeyZRVXRNGDGJSOBF-UEEORIODSA-N
XLogP2.46
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-3,3-difluoro-2-methylcyclohexan-1-imine
CID 89592223
1,1-Difluoro-3-methylpentan-2-imine
CID 129313325
1,1,1-Trifluoro-3-methylhexan-2-imine
CID 134468965
(3S)-3-(trifluoromethyl)cyclopentan-1-imine
CID 168248969
2-(Trifluoromethyl)cyclohexan-1-imine
CID 173212003
1,1-Difluoro-4-methylpentan-2-imine
CID 174947968
3-ethyl-4-N,5,5-trifluoroheptane-2,4-diimine
CID 175356791
1,1,1-Trifluoro-2-methylheptan-4-imine
CID 162584388
6,6,6-Trifluoro-5-methylhexan-3-imine
CID 162584396
1-(3,3-Difluorocyclopentyl)ethanimine
CID 169169649
2-Methylcyclopentan-1-imine
CID 10240765
1-Cyclopentylethanimine
CID 18727540

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3,3-difluorocyclopentyl]ethanimine?
The IUPAC name of 1-[(1S)-3,3-difluorocyclopentyl]ethanimine (CID 144713079) is 1-[(1S)-3,3-difluorocyclopentyl]ethanimine.
What is the SMILES notation for 1-[(1S)-3,3-difluorocyclopentyl]ethanimine?
The canonical SMILES for 1-[(1S)-3,3-difluorocyclopentyl]ethanimine is [H]/N=C(\C)[C@H]1CCC(F)(F)C1.
What is the InChIKey of 1-[(1S)-3,3-difluorocyclopentyl]ethanimine?
The InChIKey is ZRVXRNGDGJSOBF-UEEORIODSA-N. The full InChI is InChI=1S/C7H11F2N/c1-5(10)6-2-3-7(8,9)4-6/h6,10H,2-4H2,1H3/b10-5+/t6-/m0/s1.
What are the key properties of 1-[(1S)-3,3-difluorocyclopentyl]ethanimine?
1-[(1S)-3,3-difluorocyclopentyl]ethanimine has a molecular weight of 147.17 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3,3-difluorocyclopentyl]ethanimine is sourced from PubChem (CID 144713079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).