3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride

C11H14ClF2N — CID 66982930

IUPAC3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride
SMILESCc1cc(CC(=CF)CN)ccc1F.Cl
InChIInChI=1S/C11H13F2N.ClH/c1-8-4-9(2-3-11(8)13)5-10(6-12)7-14;/h2-4,6H,5,7,14H2,1H3;1H
InChIKeyNJFQAJFNDUPJSL-UHFFFAOYSA-N
MW233.69 g/mol
LogP2.91
Rot. Bonds3

About 3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride

3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride (PubChem CID 66982930) has the molecular formula C11H14ClF2N and a molecular weight of 233.69 g/mol. Its IUPAC name is 3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride
PubChem CID66982930
Molecular FormulaC11H14ClF2N
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride
SMILESCc1cc(CC(=CF)CN)ccc1F.Cl
InChIInChI=1S/C11H13F2N.ClH/c1-8-4-9(2-3-11(8)13)5-10(6-12)7-14;/h2-4,6H,5,7,14H2,1H3;1H
InChIKeyNJFQAJFNDUPJSL-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine
CID 25013777
(E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 66982653
(E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine
CID 66982900
(Z)-2-[(3,5-dichlorophenyl)methyl]-3-fluoroprop-2-en-1-amine;hydrochloride
CID 66982716
(Z)-2-[(2,5-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 25013630
(Z)-2-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 59029517
1-(4-fluoro-3-methylphenyl)but-3-en-2-one
CID 141051945
(Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 66983444
azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine
CID 70522595
4-[(2E,5E)-2-chlorohepta-2,5-dienyl]-1-fluoro-2-methylbenzene
CID 167217064
(2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine
CID 90212776
4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol
CID 82398888

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride?
The IUPAC name of 3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride (CID 66982930) is 3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for 3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride?
The canonical SMILES for 3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride is Cc1cc(CC(=CF)CN)ccc1F.Cl.
What is the InChIKey of 3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride?
The InChIKey is NJFQAJFNDUPJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N.ClH/c1-8-4-9(2-3-11(8)13)5-10(6-12)7-14;/h2-4,6H,5,7,14H2,1H3;1H.
What are the key properties of 3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride?
3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride has a molecular weight of 233.69 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 66982930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).