tert-butyl N-[(1R)-1-[4-(fluoromethoxy)phenyl]-2-hydroxyethyl]carbamate

C14H20FNO4 — CID 135263500

IUPACtert-butyl N-[(1R)-1-[4-(fluoromethoxy)phenyl]-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)c1ccc(OCF)cc1
InChIInChI=1S/C14H20FNO4/c1-14(2,3)20-13(18)16-12(8-17)10-4-6-11(7-5-10)19-9-15/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyMFCZFOMHXCIYEO-LBPRGKRZSA-N
MW285.32 g/mol
LogP2.55
Rot. Bonds5

About tert-butyl N-[(1R)-1-[4-(fluoromethoxy)phenyl]-2-hydroxyethyl]carbamate

tert-butyl N-[(1R)-1-[4-(fluoromethoxy)phenyl]-2-hydroxyethyl]carbamate (PubChem CID 135263500) has the molecular formula C14H20FNO4 and a molecular weight of 285.32 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[4-(fluoromethoxy)phenyl]-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[4-(fluoromethoxy)phenyl]-2-hydroxyethyl]carbamate
PubChem CID135263500
Molecular FormulaC14H20FNO4
Molecular Weight285.32 g/mol
Exact Mass285.14
IUPAC Nametert-butyl N-[(1R)-1-[4-(fluoromethoxy)phenyl]-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)c1ccc(OCF)cc1
InChIInChI=1S/C14H20FNO4/c1-14(2,3)20-13(18)16-12(8-17)10-4-6-11(7-5-10)19-9-15/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyMFCZFOMHXCIYEO-LBPRGKRZSA-N
XLogP2.55
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S)-1-(4-cyanophenyl)-2-hydroxyethyl]carbamate
CID 124648636
tert-butyl N-[(1R)-2-hydroxy-1-(4-methylsulfanylphenyl)ethyl]carbamate
CID 142503477
(3S)-3-(4-ethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7022531
(3R)-3-(4-ethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7062318
tert-butyl N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]carbamate
CID 125041772
tert-butyl N-[1-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate
CID 175207893
tert-butyl N-[1-[4-(cyclopropylmethylsulfonyl)phenyl]-2-hydroxyethyl]carbamate
CID 175606416
tert-butyl N-[(1S)-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxo-1-phenylethyl]carbamate
CID 101461135
tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-1-phenylpropyl]carbamate;dichloromethane
CID 123744820
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 2756774
tert-butyl N-[(1R)-2-hydroxy-1-[4-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]carbamate
CID 175686655
3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2734583

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[4-(fluoromethoxy)phenyl]-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[4-(fluoromethoxy)phenyl]-2-hydroxyethyl]carbamate (CID 135263500) is tert-butyl N-[(1R)-1-[4-(fluoromethoxy)phenyl]-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[4-(fluoromethoxy)phenyl]-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[4-(fluoromethoxy)phenyl]-2-hydroxyethyl]carbamate is CC(C)(C)OC(=O)N[C@@H](CO)c1ccc(OCF)cc1.
What is the InChIKey of tert-butyl N-[(1R)-1-[4-(fluoromethoxy)phenyl]-2-hydroxyethyl]carbamate?
The InChIKey is MFCZFOMHXCIYEO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20FNO4/c1-14(2,3)20-13(18)16-12(8-17)10-4-6-11(7-5-10)19-9-15/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(1R)-1-[4-(fluoromethoxy)phenyl]-2-hydroxyethyl]carbamate?
tert-butyl N-[(1R)-1-[4-(fluoromethoxy)phenyl]-2-hydroxyethyl]carbamate has a molecular weight of 285.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[4-(fluoromethoxy)phenyl]-2-hydroxyethyl]carbamate is sourced from PubChem (CID 135263500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).