methyl-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamic acid

C6H10F3NO3 — CID 21064886

IUPACmethyl-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamic acid
SMILESCN(CC[C@@H](O)C(F)(F)F)C(=O)O
InChIInChI=1S/C6H10F3NO3/c1-10(5(12)13)3-2-4(11)6(7,8)9/h4,11H,2-3H2,1H3,(H,12,13)/t4-/m1/s1
InChIKeyXZZMXNXURZUBGN-SCSAIBSYSA-N
MW201.14 g/mol
LogP0.91
Rot. Bonds3

About methyl-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamic acid

methyl-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamic acid (PubChem CID 21064886) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is methyl-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamic acid
PubChem CID21064886
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Namemethyl-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamic acid
SMILESCN(CC[C@@H](O)C(F)(F)F)C(=O)O
InChIInChI=1S/C6H10F3NO3/c1-10(5(12)13)3-2-4(11)6(7,8)9/h4,11H,2-3H2,1H3,(H,12,13)/t4-/m1/s1
InChIKeyXZZMXNXURZUBGN-SCSAIBSYSA-N
XLogP0.91
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamic acid?
The IUPAC name of methyl-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamic acid (CID 21064886) is methyl-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamic acid.
What is the SMILES notation for methyl-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamic acid?
The canonical SMILES for methyl-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamic acid is CN(CC[C@@H](O)C(F)(F)F)C(=O)O.
What is the InChIKey of methyl-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamic acid?
The InChIKey is XZZMXNXURZUBGN-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c1-10(5(12)13)3-2-4(11)6(7,8)9/h4,11H,2-3H2,1H3,(H,12,13)/t4-/m1/s1.
What are the key properties of methyl-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamic acid?
methyl-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamic acid has a molecular weight of 201.14 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamic acid is sourced from PubChem (CID 21064886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).