3-fluoro-5-methylhexan-2-amine

C7H16FN — CID 105427778

IUPAC3-fluoro-5-methylhexan-2-amine
SMILESCC(C)CC(F)C(C)N
InChIInChI=1S/C7H16FN/c1-5(2)4-7(8)6(3)9/h5-7H,4,9H2,1-3H3
InChIKeyJFLUFEROQAPHGX-UHFFFAOYSA-N
MW133.21 g/mol
LogP1.72
Rot. Bonds3

About 3-fluoro-5-methylhexan-2-amine

3-fluoro-5-methylhexan-2-amine (PubChem CID 105427778) has the molecular formula C7H16FN and a molecular weight of 133.21 g/mol. Its IUPAC name is 3-fluoro-5-methylhexan-2-amine.

Molecular Properties

Compound Name3-fluoro-5-methylhexan-2-amine
PubChem CID105427778
Molecular FormulaC7H16FN
Molecular Weight133.21 g/mol
Exact Mass133.13
IUPAC Name3-fluoro-5-methylhexan-2-amine
SMILESCC(C)CC(F)C(C)N
InChIInChI=1S/C7H16FN/c1-5(2)4-7(8)6(3)9/h5-7H,4,9H2,1-3H3
InChIKeyJFLUFEROQAPHGX-UHFFFAOYSA-N
XLogP1.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1,1-difluoro-4-methylpentan-2-amine
CID 130038441
3-fluoro-5,5-dimethylhexan-2-amine
CID 105429117
(2S)-2-fluoro-4-methylpentan-1-amine
CID 129375468
2,4-dimethylpentane
CID 157050020
(2S,4R)-2-fluoro-6-methylheptane-1,4-diamine
CID 176716912
(4R)-2-fluoro-6-methylheptane-1,4-diamine
CID 176716877
2-(1-fluoroethyl)-4-methylpentan-1-amine
CID 105429103
1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine
CID 115407411
2,4-dimethylpentane;methane
CID 159476318
(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol
CID 10512329
(2S,3R)-2-fluoro-5-methylhexane-1,3-diol
CID 134933849
(3R)-butane-2,3-diamine
CID 172719520

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methylhexan-2-amine?
The IUPAC name of 3-fluoro-5-methylhexan-2-amine (CID 105427778) is 3-fluoro-5-methylhexan-2-amine.
What is the SMILES notation for 3-fluoro-5-methylhexan-2-amine?
The canonical SMILES for 3-fluoro-5-methylhexan-2-amine is CC(C)CC(F)C(C)N.
What is the InChIKey of 3-fluoro-5-methylhexan-2-amine?
The InChIKey is JFLUFEROQAPHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN/c1-5(2)4-7(8)6(3)9/h5-7H,4,9H2,1-3H3.
What are the key properties of 3-fluoro-5-methylhexan-2-amine?
3-fluoro-5-methylhexan-2-amine has a molecular weight of 133.21 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methylhexan-2-amine is sourced from PubChem (CID 105427778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).