propan-2-yl N-(2,2-difluoropropyl)carbamate

C7H13F2NO2 — CID 139305684

IUPACpropan-2-yl N-(2,2-difluoropropyl)carbamate
SMILESCC(C)OC(=O)NCC(C)(F)F
InChIInChI=1S/C7H13F2NO2/c1-5(2)12-6(11)10-4-7(3,8)9/h5H,4H2,1-3H3,(H,10,11)
InChIKeyVJSFVSZPUZGHPX-UHFFFAOYSA-N
MW181.18 g/mol
LogP1.78
Rot. Bonds3

About propan-2-yl N-(2,2-difluoropropyl)carbamate

propan-2-yl N-(2,2-difluoropropyl)carbamate (PubChem CID 139305684) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is propan-2-yl N-(2,2-difluoropropyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2,2-difluoropropyl)carbamate
PubChem CID139305684
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Namepropan-2-yl N-(2,2-difluoropropyl)carbamate
SMILESCC(C)OC(=O)NCC(C)(F)F
InChIInChI=1S/C7H13F2NO2/c1-5(2)12-6(11)10-4-7(3,8)9/h5H,4H2,1-3H3,(H,10,11)
InChIKeyVJSFVSZPUZGHPX-UHFFFAOYSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-(2,2-difluoropropyl)carbamate
CID 90076527
propan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate
CID 66170109
2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid
CID 66174218
propan-2-yl N-(4-amino-2,2-dimethylbutyl)carbamate
CID 106141226
propan-2-yl N-(2,2-dimethyl-3-methylsulfonylpropyl)carbamate
CID 89000381
N-(2,2-difluoropropyl)-2-methylpropanamide
CID 130436254
propan-2-yl N-[2-(aminomethyl)-2-ethylbutyl]carbamate
CID 106250964
propan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate
CID 116656095
2,2-difluoropropylurea
CID 123994656
propan-2-yl N-(2-chloroethyl)carbamate
CID 15649892
propan-2-yl N-(2-cyclopropylethyl)carbamate
CID 116656480
2-cyano-N-(2,2-difluoropropyl)propanamide
CID 143242049

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2,2-difluoropropyl)carbamate?
The IUPAC name of propan-2-yl N-(2,2-difluoropropyl)carbamate (CID 139305684) is propan-2-yl N-(2,2-difluoropropyl)carbamate.
What is the SMILES notation for propan-2-yl N-(2,2-difluoropropyl)carbamate?
The canonical SMILES for propan-2-yl N-(2,2-difluoropropyl)carbamate is CC(C)OC(=O)NCC(C)(F)F.
What is the InChIKey of propan-2-yl N-(2,2-difluoropropyl)carbamate?
The InChIKey is VJSFVSZPUZGHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c1-5(2)12-6(11)10-4-7(3,8)9/h5H,4H2,1-3H3,(H,10,11).
What are the key properties of propan-2-yl N-(2,2-difluoropropyl)carbamate?
propan-2-yl N-(2,2-difluoropropyl)carbamate has a molecular weight of 181.18 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2,2-difluoropropyl)carbamate is sourced from PubChem (CID 139305684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).