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

C8H7ClFN5 — CID 114859511

IUPAC(5-chloro-2-fluorophenyl)-(2H-tetrazol-5-yl)methanamine
SMILESNC(c1nn[nH]n1)c1cc(Cl)ccc1F
InChIInChI=1S/C8H7ClFN5/c9-4-1-2-6(10)5(3-4)7(11)8-12-14-15-13-8/h1-3,7H,11H2,(H,12,13,14,15)
InChIKeyYCVUAYMGEDKBIP-UHFFFAOYSA-N
MW227.63 g/mol
LogP1.04
Rot. Bonds2

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

(5-chloro-2-fluorophenyl)-(2H-tetrazol-5-yl)methanamine (PubChem CID 114859511) has the molecular formula C8H7ClFN5 and a molecular weight of 227.63 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(2H-tetrazol-5-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(2H-tetrazol-5-yl)methanamine
PubChem CID114859511
Molecular FormulaC8H7ClFN5
Molecular Weight227.63 g/mol
Exact Mass227.04
IUPAC Name(5-chloro-2-fluorophenyl)-(2H-tetrazol-5-yl)methanamine
SMILESNC(c1nn[nH]n1)c1cc(Cl)ccc1F
InChIInChI=1S/C8H7ClFN5/c9-4-1-2-6(10)5(3-4)7(11)8-12-14-15-13-8/h1-3,7H,11H2,(H,12,13,14,15)
InChIKeyYCVUAYMGEDKBIP-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

(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methanamine
CID 51976278
(2-chloro-6-fluorophenyl)-(2H-tetrazol-5-yl)methanamine
CID 61150598
(5-chloro-2-nitrophenyl)-(2H-tetrazol-5-yl)methanol
CID 58398306
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
(2,5-dimethoxyphenyl)-(2H-tetrazol-5-yl)methanamine
CID 61149610
(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625242
1-(5-chloro-2-fluorophenyl)prop-2-yn-1-amine
CID 114885910
(3-methylphenyl)-(2H-tetrazol-5-yl)methanamine
CID 54775384
(5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine
CID 114885982
(1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine
CID 131514885
1-(5-chloro-2-fluorophenyl)butane-1,4-diamine
CID 116933749
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(2H-tetrazol-5-yl)methanamine?
The IUPAC name of (5-chloro-2-fluorophenyl)-(2H-tetrazol-5-yl)methanamine (CID 114859511) is (5-chloro-2-fluorophenyl)-(2H-tetrazol-5-yl)methanamine.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(2H-tetrazol-5-yl)methanamine?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(2H-tetrazol-5-yl)methanamine is NC(c1nn[nH]n1)c1cc(Cl)ccc1F.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(2H-tetrazol-5-yl)methanamine?
The InChIKey is YCVUAYMGEDKBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN5/c9-4-1-2-6(10)5(3-4)7(11)8-12-14-15-13-8/h1-3,7H,11H2,(H,12,13,14,15).
What are the key properties of (5-chloro-2-fluorophenyl)-(2H-tetrazol-5-yl)methanamine?
(5-chloro-2-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 (5-chloro-2-fluorophenyl)-(2H-tetrazol-5-yl)methanamine is sourced from PubChem (CID 114859511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).