(4-chloro-2,3,5-trifluorophenyl)methanamine

C7H5ClF3N — CID 117110798

IUPAC(4-chloro-2,3,5-trifluorophenyl)methanamine
SMILESNCc1cc(F)c(Cl)c(F)c1F
InChIInChI=1S/C7H5ClF3N/c8-5-4(9)1-3(2-12)6(10)7(5)11/h1H,2,12H2
InChIKeyFCDUCVJMVJUOPC-UHFFFAOYSA-N
MW195.57 g/mol
LogP2.22
Rot. Bonds1

About (4-chloro-2,3,5-trifluorophenyl)methanamine

(4-chloro-2,3,5-trifluorophenyl)methanamine (PubChem CID 117110798) has the molecular formula C7H5ClF3N and a molecular weight of 195.57 g/mol. Its IUPAC name is (4-chloro-2,3,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-2,3,5-trifluorophenyl)methanamine
PubChem CID117110798
Molecular FormulaC7H5ClF3N
Molecular Weight195.57 g/mol
Exact Mass195.01
IUPAC Name(4-chloro-2,3,5-trifluorophenyl)methanamine
SMILESNCc1cc(F)c(Cl)c(F)c1F
InChIInChI=1S/C7H5ClF3N/c8-5-4(9)1-3(2-12)6(10)7(5)11/h1H,2,12H2
InChIKeyFCDUCVJMVJUOPC-UHFFFAOYSA-N
XLogP2.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.57
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine
CID 84675684
1-(4-chloro-2,3,5-trifluorophenyl)propan-2-ol
CID 117114545
(E)-3-(3-chloro-2,4,6-trifluorophenyl)prop-2-en-1-amine
CID 117317236
(4-chloro-5-fluoro-2-iodophenyl)methanamine
CID 171016038
3-(3-chloro-2,4,5-trifluorophenyl)propan-1-amine
CID 115113368
(3,5-difluoro-2,4-dimethylphenyl)methanamine
CID 84765917
[3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine
CID 53474963
3-chloro-2,4,6-trifluoroaniline
CID 71758632
(4,5-difluoro-2-iodophenyl)methanamine
CID 86775727
1-(3-chloro-2,4,6-trifluorophenyl)propan-2-amine
CID 117320924
3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84797782
(5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine
CID 84770610

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,3,5-trifluorophenyl)methanamine?
The IUPAC name of (4-chloro-2,3,5-trifluorophenyl)methanamine (CID 117110798) is (4-chloro-2,3,5-trifluorophenyl)methanamine.
What is the SMILES notation for (4-chloro-2,3,5-trifluorophenyl)methanamine?
The canonical SMILES for (4-chloro-2,3,5-trifluorophenyl)methanamine is NCc1cc(F)c(Cl)c(F)c1F.
What is the InChIKey of (4-chloro-2,3,5-trifluorophenyl)methanamine?
The InChIKey is FCDUCVJMVJUOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N/c8-5-4(9)1-3(2-12)6(10)7(5)11/h1H,2,12H2.
What are the key properties of (4-chloro-2,3,5-trifluorophenyl)methanamine?
(4-chloro-2,3,5-trifluorophenyl)methanamine has a molecular weight of 195.57 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,3,5-trifluorophenyl)methanamine is sourced from PubChem (CID 117110798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).