(1R,2S)-2-amino-3-fluoro-1-[4-(2H-tetrazol-5-yl)phenyl]propan-1-ol

C10H12FN5O — CID 71066748

IUPAC(1R,2S)-2-amino-3-fluoro-1-[4-(2H-tetrazol-5-yl)phenyl]propan-1-ol
SMILESN[C@H](CF)[C@H](O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H12FN5O/c11-5-8(12)9(17)6-1-3-7(4-2-6)10-13-15-16-14-10/h1-4,8-9,17H,5,12H2,(H,13,14,15,16)/t8-,9-/m1/s1
InChIKeyHMSGJEYDYINWQS-RKDXNWHRSA-N
MW237.24 g/mol
LogP0.20
Rot. Bonds4

About (1R,2S)-2-amino-3-fluoro-1-[4-(2H-tetrazol-5-yl)phenyl]propan-1-ol

(1R,2S)-2-amino-3-fluoro-1-[4-(2H-tetrazol-5-yl)phenyl]propan-1-ol (PubChem CID 71066748) has the molecular formula C10H12FN5O and a molecular weight of 237.24 g/mol. Its IUPAC name is (1R,2S)-2-amino-3-fluoro-1-[4-(2H-tetrazol-5-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-amino-3-fluoro-1-[4-(2H-tetrazol-5-yl)phenyl]propan-1-ol
PubChem CID71066748
Molecular FormulaC10H12FN5O
Molecular Weight237.24 g/mol
Exact Mass237.10
IUPAC Name(1R,2S)-2-amino-3-fluoro-1-[4-(2H-tetrazol-5-yl)phenyl]propan-1-ol
SMILESN[C@H](CF)[C@H](O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H12FN5O/c11-5-8(12)9(17)6-1-3-7(4-2-6)10-13-15-16-14-10/h1-4,8-9,17H,5,12H2,(H,13,14,15,16)/t8-,9-/m1/s1
InChIKeyHMSGJEYDYINWQS-RKDXNWHRSA-N
XLogP0.20
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-3-fluoro-1-[4-(2H-tetrazol-5-yl)phenyl]propan-1-ol?
The IUPAC name of (1R,2S)-2-amino-3-fluoro-1-[4-(2H-tetrazol-5-yl)phenyl]propan-1-ol (CID 71066748) is (1R,2S)-2-amino-3-fluoro-1-[4-(2H-tetrazol-5-yl)phenyl]propan-1-ol.
What is the SMILES notation for (1R,2S)-2-amino-3-fluoro-1-[4-(2H-tetrazol-5-yl)phenyl]propan-1-ol?
The canonical SMILES for (1R,2S)-2-amino-3-fluoro-1-[4-(2H-tetrazol-5-yl)phenyl]propan-1-ol is N[C@H](CF)[C@H](O)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of (1R,2S)-2-amino-3-fluoro-1-[4-(2H-tetrazol-5-yl)phenyl]propan-1-ol?
The InChIKey is HMSGJEYDYINWQS-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H12FN5O/c11-5-8(12)9(17)6-1-3-7(4-2-6)10-13-15-16-14-10/h1-4,8-9,17H,5,12H2,(H,13,14,15,16)/t8-,9-/m1/s1.
What are the key properties of (1R,2S)-2-amino-3-fluoro-1-[4-(2H-tetrazol-5-yl)phenyl]propan-1-ol?
(1R,2S)-2-amino-3-fluoro-1-[4-(2H-tetrazol-5-yl)phenyl]propan-1-ol has a molecular weight of 237.24 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-3-fluoro-1-[4-(2H-tetrazol-5-yl)phenyl]propan-1-ol is sourced from PubChem (CID 71066748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).