4-fluoro-6-methylhept-1-en-2-amine

C8H16FN — CID 142930958

IUPAC4-fluoro-6-methylhept-1-en-2-amine
SMILESC=C(N)CC(F)CC(C)C
InChIInChI=1S/C8H16FN/c1-6(2)4-8(9)5-7(3)10/h6,8H,3-5,10H2,1-2H3
InChIKeyXPXJJDOXMSQSMN-UHFFFAOYSA-N
MW145.22 g/mol
LogP2.23
Rot. Bonds4

About 4-fluoro-6-methylhept-1-en-2-amine

4-fluoro-6-methylhept-1-en-2-amine (PubChem CID 142930958) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 4-fluoro-6-methylhept-1-en-2-amine.

Molecular Properties

Compound Name4-fluoro-6-methylhept-1-en-2-amine
PubChem CID142930958
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name4-fluoro-6-methylhept-1-en-2-amine
SMILESC=C(N)CC(F)CC(C)C
InChIInChI=1S/C8H16FN/c1-6(2)4-8(9)5-7(3)10/h6,8H,3-5,10H2,1-2H3
InChIKeyXPXJJDOXMSQSMN-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methylhept-1-en-2-amine?
The IUPAC name of 4-fluoro-6-methylhept-1-en-2-amine (CID 142930958) is 4-fluoro-6-methylhept-1-en-2-amine.
What is the SMILES notation for 4-fluoro-6-methylhept-1-en-2-amine?
The canonical SMILES for 4-fluoro-6-methylhept-1-en-2-amine is C=C(N)CC(F)CC(C)C.
What is the InChIKey of 4-fluoro-6-methylhept-1-en-2-amine?
The InChIKey is XPXJJDOXMSQSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-6(2)4-8(9)5-7(3)10/h6,8H,3-5,10H2,1-2H3.
What are the key properties of 4-fluoro-6-methylhept-1-en-2-amine?
4-fluoro-6-methylhept-1-en-2-amine has a molecular weight of 145.22 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methylhept-1-en-2-amine is sourced from PubChem (CID 142930958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).