1-fluoro-N,N-dimethylpropan-2-amine

C5H12FN — CID 123355722

IUPAC1-fluoro-N,N-dimethylpropan-2-amine
SMILESCC(CF)N(C)C
InChIInChI=1S/C5H12FN/c1-5(4-6)7(2)3/h5H,4H2,1-3H3
InChIKeyOIQKLDOHJFAVIQ-UHFFFAOYSA-N
MW105.16 g/mol
LogP0.91
Rot. Bonds2

About 1-fluoro-N,N-dimethylpropan-2-amine

1-fluoro-N,N-dimethylpropan-2-amine (PubChem CID 123355722) has the molecular formula C5H12FN and a molecular weight of 105.16 g/mol. Its IUPAC name is 1-fluoro-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-fluoro-N,N-dimethylpropan-2-amine
PubChem CID123355722
Molecular FormulaC5H12FN
Molecular Weight105.16 g/mol
Exact Mass105.10
IUPAC Name1-fluoro-N,N-dimethylpropan-2-amine
SMILESCC(CF)N(C)C
InChIInChI=1S/C5H12FN/c1-5(4-6)7(2)3/h5H,4H2,1-3H3
InChIKeyOIQKLDOHJFAVIQ-UHFFFAOYSA-N
XLogP0.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-4,4-difluoro-N,N-dimethylbutan-2-amine
CID 174323846
4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol
CID 142726769
1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 57251767
4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol
CID 158257975
ethane;N,N,5-trimethylhexan-2-amine
CID 144654908
ethane;N-(fluoromethyl)-N-methylethanamine;2-methylpropane
CID 145053451
bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen
CID 157248032
N,N-dimethylethanamine;2-methylpropane
CID 145274023
N,N-dimethyl-1-phenylpropan-2-amine;iodomethane
CID 23619188
(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
CID 59871381
N,2-dimethyl-N-(2-methylpentan-3-yl)pentan-3-amine
CID 134315332
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N,N-dimethylpropan-2-amine?
The IUPAC name of 1-fluoro-N,N-dimethylpropan-2-amine (CID 123355722) is 1-fluoro-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 1-fluoro-N,N-dimethylpropan-2-amine?
The canonical SMILES for 1-fluoro-N,N-dimethylpropan-2-amine is CC(CF)N(C)C.
What is the InChIKey of 1-fluoro-N,N-dimethylpropan-2-amine?
The InChIKey is OIQKLDOHJFAVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FN/c1-5(4-6)7(2)3/h5H,4H2,1-3H3.
What are the key properties of 1-fluoro-N,N-dimethylpropan-2-amine?
1-fluoro-N,N-dimethylpropan-2-amine has a molecular weight of 105.16 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 123355722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).