benzyl N-(1-amino-5,5,5-trifluoro-2-methylpentan-2-yl)carbamate

C14H19F3N2O2 — CID 86724733

IUPACbenzyl N-(1-amino-5,5,5-trifluoro-2-methylpentan-2-yl)carbamate
SMILESCC(CN)(CCC(F)(F)F)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H19F3N2O2/c1-13(10-18,7-8-14(15,16)17)19-12(20)21-9-11-5-3-2-4-6-11/h2-6H,7-10,18H2,1H3,(H,19,20)
InChIKeyHRFVDFLTPAPNFA-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.97
Rot. Bonds6

About benzyl N-(1-amino-5,5,5-trifluoro-2-methylpentan-2-yl)carbamate

benzyl N-(1-amino-5,5,5-trifluoro-2-methylpentan-2-yl)carbamate (PubChem CID 86724733) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is benzyl N-(1-amino-5,5,5-trifluoro-2-methylpentan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-amino-5,5,5-trifluoro-2-methylpentan-2-yl)carbamate
PubChem CID86724733
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Namebenzyl N-(1-amino-5,5,5-trifluoro-2-methylpentan-2-yl)carbamate
SMILESCC(CN)(CCC(F)(F)F)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H19F3N2O2/c1-13(10-18,7-8-14(15,16)17)19-12(20)21-9-11-5-3-2-4-6-11/h2-6H,7-10,18H2,1H3,(H,19,20)
InChIKeyHRFVDFLTPAPNFA-UHFFFAOYSA-N
XLogP2.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2R)-1-amino-4-fluoro-2-methylbutan-2-yl]carbamate
CID 129412141
benzyl N-[1-amino-2-methyl-4-(trimethyl-λ4-sulfanyl)butan-2-yl]carbamate
CID 126611804
benzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate
CID 126765970
benzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate
CID 126639455
(3S)-3-methyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 146168448
(3S)-3,5-dimethyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 54094941
methyl (2S)-3,3,3-trifluoro-2-methyl-2-(phenylmethoxycarbonylamino)propanoate
CID 102354501
benzyl N-[(2R)-2-cyano-4-fluorobutan-2-yl]carbamate
CID 129412139
benzyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 5001228
(2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 51683257
methyl 2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanethioyl]amino]propanoate
CID 100978063
lithium benzyl N-(2-methylbut-3-yn-2-yl)carbamate
CID 87939839

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-amino-5,5,5-trifluoro-2-methylpentan-2-yl)carbamate?
The IUPAC name of benzyl N-(1-amino-5,5,5-trifluoro-2-methylpentan-2-yl)carbamate (CID 86724733) is benzyl N-(1-amino-5,5,5-trifluoro-2-methylpentan-2-yl)carbamate.
What is the SMILES notation for benzyl N-(1-amino-5,5,5-trifluoro-2-methylpentan-2-yl)carbamate?
The canonical SMILES for benzyl N-(1-amino-5,5,5-trifluoro-2-methylpentan-2-yl)carbamate is CC(CN)(CCC(F)(F)F)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-amino-5,5,5-trifluoro-2-methylpentan-2-yl)carbamate?
The InChIKey is HRFVDFLTPAPNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-13(10-18,7-8-14(15,16)17)19-12(20)21-9-11-5-3-2-4-6-11/h2-6H,7-10,18H2,1H3,(H,19,20).
What are the key properties of benzyl N-(1-amino-5,5,5-trifluoro-2-methylpentan-2-yl)carbamate?
benzyl N-(1-amino-5,5,5-trifluoro-2-methylpentan-2-yl)carbamate has a molecular weight of 304.31 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-amino-5,5,5-trifluoro-2-methylpentan-2-yl)carbamate is sourced from PubChem (CID 86724733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).