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

C8H13F2N — CID 123839091

IUPAC(4,6-difluorocyclohepten-1-yl)methanamine
SMILESNCC1=CCC(F)CC(F)C1
InChIInChI=1S/C8H13F2N/c9-7-2-1-6(5-11)3-8(10)4-7/h1,7-8H,2-5,11H2
InChIKeyLGVLFZTXZYCPNV-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.73
Rot. Bonds1

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

(4,6-difluorocyclohepten-1-yl)methanamine (PubChem CID 123839091) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is (4,6-difluorocyclohepten-1-yl)methanamine.

Molecular Properties

Compound Name(4,6-difluorocyclohepten-1-yl)methanamine
PubChem CID123839091
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name(4,6-difluorocyclohepten-1-yl)methanamine
SMILESNCC1=CCC(F)CC(F)C1
InChIInChI=1S/C8H13F2N/c9-7-2-1-6(5-11)3-8(10)4-7/h1,7-8H,2-5,11H2
InChIKeyLGVLFZTXZYCPNV-UHFFFAOYSA-N
XLogP1.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.73
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

3-(1,1-Difluoroethyl)cyclohex-2-en-1-amine
CID 68341272
(4-Fluorocyclohexen-1-yl)methanamine
CID 89126657
[(4S)-4-fluorocyclohexen-1-yl]methanamine
CID 89952053
2-[(1Z)-cycloundecen-1-yl]-2-fluoroethanamine
CID 90212060
2-(2,2-Difluoropropyl)pent-2-en-1-amine
CID 123499135
(2E)-4-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-(fluoromethylidene)butan-1-amine
CID 145663393
(4,6-Difluorocyclohexen-1-yl)methanamine
CID 163971429
(2Z)-2-ethylidene-3,4-difluorohexan-1-amine
CID 166651478
1-(Cyclohepten-1-yl)-2,2,2-trifluoroethanamine
CID 62077875
1-(Cyclohexen-1-yl)-3,3,3-trifluoropropan-1-amine
CID 62078148
1-(Cyclohexen-1-yl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 62078311
1-(Cyclohexen-1-yl)-2,2,2-trifluoroethanamine
CID 62079374

Frequently Asked Questions

What is the IUPAC name of (4,6-difluorocyclohepten-1-yl)methanamine?
The IUPAC name of (4,6-difluorocyclohepten-1-yl)methanamine (CID 123839091) is (4,6-difluorocyclohepten-1-yl)methanamine.
What is the SMILES notation for (4,6-difluorocyclohepten-1-yl)methanamine?
The canonical SMILES for (4,6-difluorocyclohepten-1-yl)methanamine is NCC1=CCC(F)CC(F)C1.
What is the InChIKey of (4,6-difluorocyclohepten-1-yl)methanamine?
The InChIKey is LGVLFZTXZYCPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c9-7-2-1-6(5-11)3-8(10)4-7/h1,7-8H,2-5,11H2.
What are the key properties of (4,6-difluorocyclohepten-1-yl)methanamine?
(4,6-difluorocyclohepten-1-yl)methanamine has a molecular weight of 161.19 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-difluorocyclohepten-1-yl)methanamine is sourced from PubChem (CID 123839091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).