(E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine

C10H10F3N — CID 66982653

IUPAC(E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C/F)Cc1ccc(F)c(F)c1
InChIInChI=1S/C10H10F3N/c11-5-8(6-14)3-7-1-2-9(12)10(13)4-7/h1-2,4-5H,3,6,14H2/b8-5+
InChIKeyCLQHDYSPJBKLIY-VMPITWQZSA-N
MW201.19 g/mol
LogP2.32
Rot. Bonds3

About (E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine

(E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine (PubChem CID 66982653) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is (E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine
PubChem CID66982653
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name(E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C/F)Cc1ccc(F)c(F)c1
InChIInChI=1S/C10H10F3N/c11-5-8(6-14)3-7-1-2-9(12)10(13)4-7/h1-2,4-5H,3,6,14H2/b8-5+
InChIKeyCLQHDYSPJBKLIY-VMPITWQZSA-N
XLogP2.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.32
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
3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 66982930
(Z)-2-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 59029517
(Z)-2-[(3,5-dichlorophenyl)methyl]-3-fluoroprop-2-en-1-amine;hydrochloride
CID 66982716
azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine
CID 70522595
(Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine
CID 58498098
(2E)-4-(4-chlorophenyl)-2-(fluoromethylidene)butan-1-amine
CID 25014173
2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 66982957
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
(Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 66983444
(3,4-difluorophenyl)methanol
CID 522833
(3,4-difluorophenyl)methylazanium
CID 6951691

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine?
The IUPAC name of (E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine (CID 66982653) is (E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine is NC/C(=C/F)Cc1ccc(F)c(F)c1.
What is the InChIKey of (E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine?
The InChIKey is CLQHDYSPJBKLIY-VMPITWQZSA-N. The full InChI is InChI=1S/C10H10F3N/c11-5-8(6-14)3-7-1-2-9(12)10(13)4-7/h1-2,4-5H,3,6,14H2/b8-5+.
What are the key properties of (E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine?
(E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine has a molecular weight of 201.19 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 66982653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).