(2-chloro-6-fluorophenyl)-(2H-tetrazol-5-yl)methanamine

C8H7ClFN5 — CID 61150598

IUPAC(2-chloro-6-fluorophenyl)-(2H-tetrazol-5-yl)methanamine
SMILESNC(c1nn[nH]n1)c1c(F)cccc1Cl
InChIInChI=1S/C8H7ClFN5/c9-4-2-1-3-5(10)6(4)7(11)8-12-14-15-13-8/h1-3,7H,11H2,(H,12,13,14,15)
InChIKeyGAFXKZWFIJKNSN-UHFFFAOYSA-N
MW227.63 g/mol
LogP1.04
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-(2H-tetrazol-5-yl)methanamine

(2-chloro-6-fluorophenyl)-(2H-tetrazol-5-yl)methanamine (PubChem CID 61150598) has the molecular formula C8H7ClFN5 and a molecular weight of 227.63 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(2H-tetrazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(2H-tetrazol-5-yl)methanamine
PubChem CID61150598
Molecular FormulaC8H7ClFN5
Molecular Weight227.63 g/mol
Exact Mass227.04
IUPAC Name(2-chloro-6-fluorophenyl)-(2H-tetrazol-5-yl)methanamine
SMILESNC(c1nn[nH]n1)c1c(F)cccc1Cl
InChIInChI=1S/C8H7ClFN5/c9-4-2-1-3-5(10)6(4)7(11)8-12-14-15-13-8/h1-3,7H,11H2,(H,12,13,14,15)
InChIKeyGAFXKZWFIJKNSN-UHFFFAOYSA-N
XLogP1.04
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.63
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-fluorophenyl)-(2H-tetrazol-5-yl)methanamine
CID 114859511
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714
3-(2-chloro-6-fluorophenyl)butan-2-amine
CID 126977015
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(2-chloro-6-fluorophenyl)methanamine
CID 43559922
(2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine
CID 114275177
(2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186711
(1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine
CID 131585694
(2-chloro-6-fluorophenyl)-(2-methylphenyl)methanamine
CID 82087273
(2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710002
(2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 28700571
(2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107291671

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(2H-tetrazol-5-yl)methanamine?
The IUPAC name of (2-chloro-6-fluorophenyl)-(2H-tetrazol-5-yl)methanamine (CID 61150598) is (2-chloro-6-fluorophenyl)-(2H-tetrazol-5-yl)methanamine.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(2H-tetrazol-5-yl)methanamine?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(2H-tetrazol-5-yl)methanamine is NC(c1nn[nH]n1)c1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(2H-tetrazol-5-yl)methanamine?
The InChIKey is GAFXKZWFIJKNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN5/c9-4-2-1-3-5(10)6(4)7(11)8-12-14-15-13-8/h1-3,7H,11H2,(H,12,13,14,15).
What are the key properties of (2-chloro-6-fluorophenyl)-(2H-tetrazol-5-yl)methanamine?
(2-chloro-6-fluorophenyl)-(2H-tetrazol-5-yl)methanamine has a molecular weight of 227.63 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(2H-tetrazol-5-yl)methanamine is sourced from PubChem (CID 61150598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).