(3S)-3-(3-fluorophenyl)butan-2-imine

C10H12FN — CID 155426408

IUPAC(3S)-3-(3-fluorophenyl)butan-2-imine
SMILES[H]/N=C(\C)[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C10H12FN/c1-7(8(2)12)9-4-3-5-10(11)6-9/h3-7,12H,1-2H3/b12-8+/t7-/m1/s1
InChIKeyLHEQSJYLOWRUAR-MEEZGBQKSA-N
MW165.21 g/mol
LogP2.97
Rot. Bonds2

About (3S)-3-(3-fluorophenyl)butan-2-imine

(3S)-3-(3-fluorophenyl)butan-2-imine (PubChem CID 155426408) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is (3S)-3-(3-fluorophenyl)butan-2-imine.

Molecular Properties

Compound Name(3S)-3-(3-fluorophenyl)butan-2-imine
PubChem CID155426408
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name(3S)-3-(3-fluorophenyl)butan-2-imine
SMILES[H]/N=C(\C)[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C10H12FN/c1-7(8(2)12)9-4-3-5-10(11)6-9/h3-7,12H,1-2H3/b12-8+/t7-/m1/s1
InChIKeyLHEQSJYLOWRUAR-MEEZGBQKSA-N
XLogP2.97
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

bromo 2-(3-fluorophenyl)propanoate
CID 174735540
1-amino-1-(3-fluorophenyl)propan-2-one
CID 55295099
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500340
(1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol
CID 122372146
2-(3-fluorophenyl)propanal
CID 20610109
(3S)-3-[[(2S)-2-(3-fluorophenyl)propanoyl]amino]butanoic acid
CID 97234251
2-[2-(3-fluorophenyl)propanoylamino]-3-methylbutanoic acid
CID 75383446
2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365342
1-(3-fluorophenyl)ethanesulfonamide
CID 62085639
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-fluorophenyl)butan-2-imine?
The IUPAC name of (3S)-3-(3-fluorophenyl)butan-2-imine (CID 155426408) is (3S)-3-(3-fluorophenyl)butan-2-imine.
What is the SMILES notation for (3S)-3-(3-fluorophenyl)butan-2-imine?
The canonical SMILES for (3S)-3-(3-fluorophenyl)butan-2-imine is [H]/N=C(\C)[C@@H](C)c1cccc(F)c1.
What is the InChIKey of (3S)-3-(3-fluorophenyl)butan-2-imine?
The InChIKey is LHEQSJYLOWRUAR-MEEZGBQKSA-N. The full InChI is InChI=1S/C10H12FN/c1-7(8(2)12)9-4-3-5-10(11)6-9/h3-7,12H,1-2H3/b12-8+/t7-/m1/s1.
What are the key properties of (3S)-3-(3-fluorophenyl)butan-2-imine?
(3S)-3-(3-fluorophenyl)butan-2-imine has a molecular weight of 165.21 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-fluorophenyl)butan-2-imine is sourced from PubChem (CID 155426408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).