N,N-di(propan-2-yl)carbamoyl fluoride

C7H14FNO — CID 135080715

IUPACN,N-di(propan-2-yl)carbamoyl fluoride
SMILESCC(C)N(C(=O)F)C(C)C
InChIInChI=1S/C7H14FNO/c1-5(2)9(6(3)4)7(8)10/h5-6H,1-4H3
InChIKeyKDBKEVBBNJIHMY-UHFFFAOYSA-N
MW147.19 g/mol
LogP2.19
Rot. Bonds2

About N,N-di(propan-2-yl)carbamoyl fluoride

N,N-di(propan-2-yl)carbamoyl fluoride (PubChem CID 135080715) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is N,N-di(propan-2-yl)carbamoyl fluoride.

Molecular Properties

Compound NameN,N-di(propan-2-yl)carbamoyl fluoride
PubChem CID135080715
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC NameN,N-di(propan-2-yl)carbamoyl fluoride
SMILESCC(C)N(C(=O)F)C(C)C
InChIInChI=1S/C7H14FNO/c1-5(2)9(6(3)4)7(8)10/h5-6H,1-4H3
InChIKeyKDBKEVBBNJIHMY-UHFFFAOYSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)carbamoyl fluoride?
The IUPAC name of N,N-di(propan-2-yl)carbamoyl fluoride (CID 135080715) is N,N-di(propan-2-yl)carbamoyl fluoride.
What is the SMILES notation for N,N-di(propan-2-yl)carbamoyl fluoride?
The canonical SMILES for N,N-di(propan-2-yl)carbamoyl fluoride is CC(C)N(C(=O)F)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)carbamoyl fluoride?
The InChIKey is KDBKEVBBNJIHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-5(2)9(6(3)4)7(8)10/h5-6H,1-4H3.
What are the key properties of N,N-di(propan-2-yl)carbamoyl fluoride?
N,N-di(propan-2-yl)carbamoyl fluoride has a molecular weight of 147.19 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)carbamoyl fluoride is sourced from PubChem (CID 135080715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).