(4,6-difluorocyclohexen-1-yl)methanamine

C7H11F2N — CID 163971429

IUPAC(4,6-difluorocyclohexen-1-yl)methanamine
SMILESNCC1=CCC(F)CC1F
InChIInChI=1S/C7H11F2N/c8-6-2-1-5(4-10)7(9)3-6/h1,6-7H,2-4,10H2
InChIKeySQHWQZYSRUYYIO-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.34
Rot. Bonds1

About (4,6-difluorocyclohexen-1-yl)methanamine

(4,6-difluorocyclohexen-1-yl)methanamine (PubChem CID 163971429) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is (4,6-difluorocyclohexen-1-yl)methanamine.

Molecular Properties

Compound Name(4,6-difluorocyclohexen-1-yl)methanamine
PubChem CID163971429
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(4,6-difluorocyclohexen-1-yl)methanamine
SMILESNCC1=CCC(F)CC1F
InChIInChI=1S/C7H11F2N/c8-6-2-1-5(4-10)7(9)3-6/h1,6-7H,2-4,10H2
InChIKeySQHWQZYSRUYYIO-UHFFFAOYSA-N
XLogP1.34
TPSA26.02 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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclohex-1-ene-1-methylamine
CID 118360
(Cyclopent-1-en-1-yl)methanamine
CID 12623599
(Cyclohex-1-en-1-yl)methanamine hydrochloride
CID 53398883
4-(Trifluoromethyl)cyclohex-3-en-1-amine
CID 83261881
(1R,4S)-3,4-difluorocyclohex-2-en-1-amine
CID 89073713
2-(Trifluoromethyl)cyclohex-2-en-1-amine
CID 89074115
[5-(Trifluoromethyl)cyclohexen-1-yl]methanamine
CID 89100068
(4-Fluorocyclohexen-1-yl)methanamine
CID 89126657
3,4-Difluorocyclohex-2-en-1-amine
CID 89153992
(6-Fluorocyclohexa-1,3-dien-1-yl)methanamine
CID 89165278
5-Fluoro-4-methylcyclohex-3-en-1-amine
CID 89214779
(5-Fluorocyclohexa-1,3-dien-1-yl)methanamine
CID 89270182

Frequently Asked Questions

What is the IUPAC name of (4,6-difluorocyclohexen-1-yl)methanamine?
The IUPAC name of (4,6-difluorocyclohexen-1-yl)methanamine (CID 163971429) is (4,6-difluorocyclohexen-1-yl)methanamine.
What is the SMILES notation for (4,6-difluorocyclohexen-1-yl)methanamine?
The canonical SMILES for (4,6-difluorocyclohexen-1-yl)methanamine is NCC1=CCC(F)CC1F.
What is the InChIKey of (4,6-difluorocyclohexen-1-yl)methanamine?
The InChIKey is SQHWQZYSRUYYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c8-6-2-1-5(4-10)7(9)3-6/h1,6-7H,2-4,10H2.
What are the key properties of (4,6-difluorocyclohexen-1-yl)methanamine?
(4,6-difluorocyclohexen-1-yl)methanamine has a molecular weight of 147.17 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-difluorocyclohexen-1-yl)methanamine is sourced from PubChem (CID 163971429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).