(2R)-2-amino-2-(fluoromethyl)-4-(4-methylphenyl)butan-1-ol

C12H18FNO — CID 67121715

IUPAC(2R)-2-amino-2-(fluoromethyl)-4-(4-methylphenyl)butan-1-ol
SMILESCc1ccc(CC[C@@](N)(CO)CF)cc1
InChIInChI=1S/C12H18FNO/c1-10-2-4-11(5-3-10)6-7-12(14,8-13)9-15/h2-5,15H,6-9,14H2,1H3/t12-/m0/s1
InChIKeyZTNCZDUZWSXCBU-LBPRGKRZSA-N
MW211.28 g/mol
LogP1.59
Rot. Bonds5

About (2R)-2-amino-2-(fluoromethyl)-4-(4-methylphenyl)butan-1-ol

(2R)-2-amino-2-(fluoromethyl)-4-(4-methylphenyl)butan-1-ol (PubChem CID 67121715) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is (2R)-2-amino-2-(fluoromethyl)-4-(4-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-(fluoromethyl)-4-(4-methylphenyl)butan-1-ol
PubChem CID67121715
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name(2R)-2-amino-2-(fluoromethyl)-4-(4-methylphenyl)butan-1-ol
SMILESCc1ccc(CC[C@@](N)(CO)CF)cc1
InChIInChI=1S/C12H18FNO/c1-10-2-4-11(5-3-10)6-7-12(14,8-13)9-15/h2-5,15H,6-9,14H2,1H3/t12-/m0/s1
InChIKeyZTNCZDUZWSXCBU-LBPRGKRZSA-N
XLogP1.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(fluoromethyl)-4-(4-methylphenyl)butan-1-ol?
The IUPAC name of (2R)-2-amino-2-(fluoromethyl)-4-(4-methylphenyl)butan-1-ol (CID 67121715) is (2R)-2-amino-2-(fluoromethyl)-4-(4-methylphenyl)butan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-(fluoromethyl)-4-(4-methylphenyl)butan-1-ol?
The canonical SMILES for (2R)-2-amino-2-(fluoromethyl)-4-(4-methylphenyl)butan-1-ol is Cc1ccc(CC[C@@](N)(CO)CF)cc1.
What is the InChIKey of (2R)-2-amino-2-(fluoromethyl)-4-(4-methylphenyl)butan-1-ol?
The InChIKey is ZTNCZDUZWSXCBU-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18FNO/c1-10-2-4-11(5-3-10)6-7-12(14,8-13)9-15/h2-5,15H,6-9,14H2,1H3/t12-/m0/s1.
What are the key properties of (2R)-2-amino-2-(fluoromethyl)-4-(4-methylphenyl)butan-1-ol?
(2R)-2-amino-2-(fluoromethyl)-4-(4-methylphenyl)butan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(fluoromethyl)-4-(4-methylphenyl)butan-1-ol is sourced from PubChem (CID 67121715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).