N-(3,3,4,4-tetrafluorobutyl)carbamate

C5H6F4NO2- — CID 154035397

IUPACN-(3,3,4,4-tetrafluorobutyl)carbamate
SMILESO=C([O-])NCCC(F)(F)C(F)F
InChIInChI=1S/C5H7F4NO2/c6-3(7)5(8,9)1-2-10-4(11)12/h3,10H,1-2H2,(H,11,12)/p-1
InChIKeyXWNWNOOFWXZRNE-UHFFFAOYSA-M
MW188.10 g/mol
LogP0.21
Rot. Bonds4

About N-(3,3,4,4-tetrafluorobutyl)carbamate

N-(3,3,4,4-tetrafluorobutyl)carbamate (PubChem CID 154035397) has the molecular formula C5H6F4NO2- and a molecular weight of 188.10 g/mol. Its IUPAC name is N-(3,3,4,4-tetrafluorobutyl)carbamate.

Molecular Properties

Compound NameN-(3,3,4,4-tetrafluorobutyl)carbamate
PubChem CID154035397
Molecular FormulaC5H6F4NO2-
Molecular Weight188.10 g/mol
Exact Mass188.03
IUPAC NameN-(3,3,4,4-tetrafluorobutyl)carbamate
SMILESO=C([O-])NCCC(F)(F)C(F)F
InChIInChI=1S/C5H7F4NO2/c6-3(7)5(8,9)1-2-10-4(11)12/h3,10H,1-2H2,(H,11,12)/p-1
InChIKeyXWNWNOOFWXZRNE-UHFFFAOYSA-M
XLogP0.21
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.10
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine
CID 172565161
2,2,3,3-tetrafluoro-N-(3,3,3-trifluoropropyl)propanamide
CID 103734095
3,3,4,4-tetrafluorobutan-1-amine;hydrochloride
CID 138991551
methyl N-(2,2,3,3-tetrafluoropropyl)carbamate
CID 103528765
2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106295758
3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid
CID 106295060
N-(3-amino-4,4-difluoro-3-methylbutyl)propanamide
CID 165448650
3,3,4,4-tetrafluorobutanoic acid
CID 29005286
N-[2-(iminoazaniumylideneamino)ethyl]carbamate
CID 130406017
methyl 3,3,4,4-tetrafluorobutanoate
CID 131228830
trichloro(3,3,4,4-tetrafluorobutyl)silane
CID 144984991
4-chloro-1,1,2,2-tetrafluorobutane
CID 54131491

Frequently Asked Questions

What is the IUPAC name of N-(3,3,4,4-tetrafluorobutyl)carbamate?
The IUPAC name of N-(3,3,4,4-tetrafluorobutyl)carbamate (CID 154035397) is N-(3,3,4,4-tetrafluorobutyl)carbamate.
What is the SMILES notation for N-(3,3,4,4-tetrafluorobutyl)carbamate?
The canonical SMILES for N-(3,3,4,4-tetrafluorobutyl)carbamate is O=C([O-])NCCC(F)(F)C(F)F.
What is the InChIKey of N-(3,3,4,4-tetrafluorobutyl)carbamate?
The InChIKey is XWNWNOOFWXZRNE-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7F4NO2/c6-3(7)5(8,9)1-2-10-4(11)12/h3,10H,1-2H2,(H,11,12)/p-1.
What are the key properties of N-(3,3,4,4-tetrafluorobutyl)carbamate?
N-(3,3,4,4-tetrafluorobutyl)carbamate has a molecular weight of 188.10 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,4,4-tetrafluorobutyl)carbamate is sourced from PubChem (CID 154035397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).