(2S)-3-cyclobutyl-2-fluoropropan-1-amine

C7H14FN — CID 129375572

IUPAC(2S)-3-cyclobutyl-2-fluoropropan-1-amine
SMILESNC[C@@H](F)CC1CCC1
InChIInChI=1S/C7H14FN/c8-7(5-9)4-6-2-1-3-6/h6-7H,1-5,9H2/t7-/m0/s1
InChIKeyKXBARRCZKWGRMT-ZETCQYMHSA-N
MW131.19 g/mol
LogP1.47
Rot. Bonds3

About (2S)-3-cyclobutyl-2-fluoropropan-1-amine

(2S)-3-cyclobutyl-2-fluoropropan-1-amine (PubChem CID 129375572) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is (2S)-3-cyclobutyl-2-fluoropropan-1-amine.

Molecular Properties

Compound Name(2S)-3-cyclobutyl-2-fluoropropan-1-amine
PubChem CID129375572
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name(2S)-3-cyclobutyl-2-fluoropropan-1-amine
SMILESNC[C@@H](F)CC1CCC1
InChIInChI=1S/C7H14FN/c8-7(5-9)4-6-2-1-3-6/h6-7H,1-5,9H2/t7-/m0/s1
InChIKeyKXBARRCZKWGRMT-ZETCQYMHSA-N
XLogP1.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-3-(oxan-3-yl)propan-1-amine
CID 105431675
(2R)-3-cyclopentyl-2-fluoropropan-1-ol
CID 129375583
1-amino-3-cyclobutylpropan-2-ol
CID 83478744
2-cyclobutyl-2-fluoroethanamine
CID 84716016
1-cyclobutyl-3-fluorobutan-2-amine
CID 84649039
methyl 3-cyclobutyl-2-fluoropropanoate
CID 105431407
(2R)-3-cyclopentyl-2-fluoro-N-methylpropan-1-amine
CID 129462680
3-cyclopentyl-1,1-difluoropropan-2-ol
CID 112575466
1,4-bis(2-fluorobutyl)cyclohexane
CID 91135267
(2S)-1-cyclobutylpropan-2-amine
CID 66713874
(2R)-1-cyclobutylpropan-2-amine
CID 124506916
1,2-di(cyclobutyl)ethanamine
CID 65456758

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclobutyl-2-fluoropropan-1-amine?
The IUPAC name of (2S)-3-cyclobutyl-2-fluoropropan-1-amine (CID 129375572) is (2S)-3-cyclobutyl-2-fluoropropan-1-amine.
What is the SMILES notation for (2S)-3-cyclobutyl-2-fluoropropan-1-amine?
The canonical SMILES for (2S)-3-cyclobutyl-2-fluoropropan-1-amine is NC[C@@H](F)CC1CCC1.
What is the InChIKey of (2S)-3-cyclobutyl-2-fluoropropan-1-amine?
The InChIKey is KXBARRCZKWGRMT-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14FN/c8-7(5-9)4-6-2-1-3-6/h6-7H,1-5,9H2/t7-/m0/s1.
What are the key properties of (2S)-3-cyclobutyl-2-fluoropropan-1-amine?
(2S)-3-cyclobutyl-2-fluoropropan-1-amine has a molecular weight of 131.19 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclobutyl-2-fluoropropan-1-amine is sourced from PubChem (CID 129375572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).