(3R)-3-fluoro-N-methylbutan-1-amine

C5H12FN — CID 126693109

IUPAC(3R)-3-fluoro-N-methylbutan-1-amine
SMILESCNCC[C@@H](C)F
InChIInChI=1S/C5H12FN/c1-5(6)3-4-7-2/h5,7H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyJCNWQAJOLZPZOZ-RXMQYKEDSA-N
MW105.16 g/mol
LogP0.95
Rot. Bonds3

About (3R)-3-fluoro-N-methylbutan-1-amine

(3R)-3-fluoro-N-methylbutan-1-amine (PubChem CID 126693109) has the molecular formula C5H12FN and a molecular weight of 105.16 g/mol. Its IUPAC name is (3R)-3-fluoro-N-methylbutan-1-amine.

Molecular Properties

Compound Name(3R)-3-fluoro-N-methylbutan-1-amine
PubChem CID126693109
Molecular FormulaC5H12FN
Molecular Weight105.16 g/mol
Exact Mass105.10
IUPAC Name(3R)-3-fluoro-N-methylbutan-1-amine
SMILESCNCC[C@@H](C)F
InChIInChI=1S/C5H12FN/c1-5(6)3-4-7-2/h5,7H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyJCNWQAJOLZPZOZ-RXMQYKEDSA-N
XLogP0.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-fluoro-N-methylbutan-1-amine
CID 144771088
4-fluoro-N-methylpentan-1-amine
CID 123463233
4-fluoro-1-(methylamino)pentan-3-ol
CID 174427700
4,4,4-trifluoro-N,3-dimethylbutan-1-amine
CID 83682052
3,4,4,4-tetrafluoro-N-methylbutan-1-amine
CID 84731464
N,N',2-trimethylbutane-1,4-diamine
CID 118562812
4-(methylamino)butan-2-ol;hydrochloride
CID 135392389
(3R)-3-fluoro-N,5,5-trimethylhexan-1-amine
CID 176737722
N-methyl-3-(trifluoromethoxy)butan-1-amine
CID 178126926
N,3-dimethylpentan-1-amine;ethane
CID 142089517
N-methyl-3-nitrosobutan-1-amine
CID 88885993
ethane;2-fluoro-N-methylpropan-1-amine
CID 144550973

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-N-methylbutan-1-amine?
The IUPAC name of (3R)-3-fluoro-N-methylbutan-1-amine (CID 126693109) is (3R)-3-fluoro-N-methylbutan-1-amine.
What is the SMILES notation for (3R)-3-fluoro-N-methylbutan-1-amine?
The canonical SMILES for (3R)-3-fluoro-N-methylbutan-1-amine is CNCC[C@@H](C)F.
What is the InChIKey of (3R)-3-fluoro-N-methylbutan-1-amine?
The InChIKey is JCNWQAJOLZPZOZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H12FN/c1-5(6)3-4-7-2/h5,7H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of (3R)-3-fluoro-N-methylbutan-1-amine?
(3R)-3-fluoro-N-methylbutan-1-amine has a molecular weight of 105.16 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-N-methylbutan-1-amine is sourced from PubChem (CID 126693109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).