(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2R)-3-methoxybutan-2-yl]carbamate

C10H18F3NO3 — CID 163620099

IUPAC(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2R)-3-methoxybutan-2-yl]carbamate
SMILESCOC(C)[C@@H](C)NC(=O)OC(C)(C)C(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-6(7(2)16-5)14-8(15)17-9(3,4)10(11,12)13/h6-7H,1-5H3,(H,14,15)/t6-,7?/m1/s1
InChIKeyHNJIUFARCMLEBO-ULUSZKPHSA-N
MW257.25 g/mol
LogP2.48
Rot. Bonds4

About (1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2R)-3-methoxybutan-2-yl]carbamate

(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2R)-3-methoxybutan-2-yl]carbamate (PubChem CID 163620099) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is (1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2R)-3-methoxybutan-2-yl]carbamate.

Molecular Properties

Compound Name(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2R)-3-methoxybutan-2-yl]carbamate
PubChem CID163620099
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2R)-3-methoxybutan-2-yl]carbamate
SMILESCOC(C)[C@@H](C)NC(=O)OC(C)(C)C(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-6(7(2)16-5)14-8(15)17-9(3,4)10(11,12)13/h6-7H,1-5H3,(H,14,15)/t6-,7?/m1/s1
InChIKeyHNJIUFARCMLEBO-ULUSZKPHSA-N
XLogP2.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 154464501
tert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate
CID 87884669
tert-butyl N-[(2S)-1-bromo-1-methoxypropan-2-yl]carbamate
CID 175914357
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-(3-amino-4,4,4-trifluorobutan-2-yl)carbamate
CID 130681792
methyl (2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 87786553
tert-butyl N-[1-(3-methoxybutan-2-ylamino)butan-2-yl]carbamate
CID 107250414
methyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 76779344
tert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate
CID 103903785
tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate
CID 174039144
methyl 3-chloro-3,4,4,4-tetrafluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 134863080
(1,1,1-trifluoro-2-methylpropan-2-yl) 2,2-dimethylpropanoate
CID 130411404

Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2R)-3-methoxybutan-2-yl]carbamate?
The IUPAC name of (1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2R)-3-methoxybutan-2-yl]carbamate (CID 163620099) is (1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2R)-3-methoxybutan-2-yl]carbamate.
What is the SMILES notation for (1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2R)-3-methoxybutan-2-yl]carbamate?
The canonical SMILES for (1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2R)-3-methoxybutan-2-yl]carbamate is COC(C)[C@@H](C)NC(=O)OC(C)(C)C(F)(F)F.
What is the InChIKey of (1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2R)-3-methoxybutan-2-yl]carbamate?
The InChIKey is HNJIUFARCMLEBO-ULUSZKPHSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-6(7(2)16-5)14-8(15)17-9(3,4)10(11,12)13/h6-7H,1-5H3,(H,14,15)/t6-,7?/m1/s1.
What are the key properties of (1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2R)-3-methoxybutan-2-yl]carbamate?
(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2R)-3-methoxybutan-2-yl]carbamate has a molecular weight of 257.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2R)-3-methoxybutan-2-yl]carbamate is sourced from PubChem (CID 163620099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).