[(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid

C5H8F3NO3 — CID 146452761

IUPAC[(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid
SMILESC[C@@H](COC(F)(F)F)NC(=O)O
InChIInChI=1S/C5H8F3NO3/c1-3(9-4(10)11)2-12-5(6,7)8/h3,9H,2H2,1H3,(H,10,11)/t3-/m0/s1
InChIKeySGAMLCPUZDYZGD-VKHMYHEASA-N
MW187.12 g/mol
LogP1.18
Rot. Bonds3

About [(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid

[(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid (PubChem CID 146452761) has the molecular formula C5H8F3NO3 and a molecular weight of 187.12 g/mol. Its IUPAC name is [(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid
PubChem CID146452761
Molecular FormulaC5H8F3NO3
Molecular Weight187.12 g/mol
Exact Mass187.05
IUPAC Name[(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid
SMILESC[C@@H](COC(F)(F)F)NC(=O)O
InChIInChI=1S/C5H8F3NO3/c1-3(9-4(10)11)2-12-5(6,7)8/h3,9H,2H2,1H3,(H,10,11)/t3-/m0/s1
InChIKeySGAMLCPUZDYZGD-VKHMYHEASA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
7-(carboxyamino)octan-2-ylcarbamic acid
CID 146545695
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CID 169042173
[(2S)-1-sulfanylpropan-2-yl]carbamic acid
CID 135369697
pent-4-en-2-ylcarbamic acid
CID 146626901
[(2R)-4-iodobutan-2-yl]carbamic acid
CID 141075426
[(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid
CID 90097336
[(2S)-1-(4-bromo-3,5-difluorophenoxy)propan-2-yl]carbamic acid
CID 67778385
5-hydroxypentan-2-ylcarbamic acid
CID 87586302
(3R)-3-(trifluoromethoxy)butanoic acid
CID 107876657
3-(trifluoromethoxy)butanoic acid
CID 87118364
2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide
CID 86592663

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid (CID 146452761) is [(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid is C[C@@H](COC(F)(F)F)NC(=O)O.
What is the InChIKey of [(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid?
The InChIKey is SGAMLCPUZDYZGD-VKHMYHEASA-N. The full InChI is InChI=1S/C5H8F3NO3/c1-3(9-4(10)11)2-12-5(6,7)8/h3,9H,2H2,1H3,(H,10,11)/t3-/m0/s1.
What are the key properties of [(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid?
[(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid has a molecular weight of 187.12 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid is sourced from PubChem (CID 146452761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).