(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methanamine

C8H7F2N5 — CID 51976278

IUPAC(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methanamine
SMILESN[C@H](c1nn[nH]n1)c1cc(F)ccc1F
InChIInChI=1S/C8H7F2N5/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)/t7-/m0/s1
InChIKeyZKFFTZYMHYAPKV-ZETCQYMHSA-N
MW211.18 g/mol
LogP0.53
Rot. Bonds2

About (S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methanamine

(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methanamine (PubChem CID 51976278) has the molecular formula C8H7F2N5 and a molecular weight of 211.18 g/mol. Its IUPAC name is (S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methanamine.

Molecular Properties

Compound Name(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methanamine
PubChem CID51976278
Molecular FormulaC8H7F2N5
Molecular Weight211.18 g/mol
Exact Mass211.07
IUPAC Name(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methanamine
SMILESN[C@H](c1nn[nH]n1)c1cc(F)ccc1F
InChIInChI=1S/C8H7F2N5/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)/t7-/m0/s1
InChIKeyZKFFTZYMHYAPKV-ZETCQYMHSA-N
XLogP0.53
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.53
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
(2-chloro-6-fluorophenyl)-(2H-tetrazol-5-yl)methanamine
CID 61150598
(2,5-dimethoxyphenyl)-(2H-tetrazol-5-yl)methanamine
CID 61149610
2-amino-1-(2,5-difluorophenyl)ethanethiol
CID 116868604
(1R)-1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55278051
1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55282989
(2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197872
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
(3-methylphenyl)-(2H-tetrazol-5-yl)methanamine
CID 54775384
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237
(2,6-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197833
(2,5-difluorophenyl)-(furan-2-yl)methanamine
CID 43415092

Frequently Asked Questions

What is the IUPAC name of (S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methanamine?
The IUPAC name of (S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methanamine (CID 51976278) is (S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methanamine.
What is the SMILES notation for (S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methanamine?
The canonical SMILES for (S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methanamine is N[C@H](c1nn[nH]n1)c1cc(F)ccc1F.
What is the InChIKey of (S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methanamine?
The InChIKey is ZKFFTZYMHYAPKV-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H7F2N5/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)/t7-/m0/s1.
What are the key properties of (S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methanamine?
(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methanamine has a molecular weight of 211.18 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methanamine is sourced from PubChem (CID 51976278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).