3,3-difluoroazetidine-1-carboxamide;molecular hydrogen;propane

C7H16F2N2O — CID 144507525

IUPAC3,3-difluoroazetidine-1-carboxamide;molecular hydrogen;propane
SMILESCCC.NC(=O)N1CC(F)(F)C1.[H][H]
InChIInChI=1S/C4H6F2N2O.C3H8.H2/c5-4(6)1-8(2-4)3(7)9;1-3-2;/h1-2H2,(H2,7,9);3H2,1-2H3;1H
InChIKeyQKPCDQKUPNCJCJ-UHFFFAOYSA-N
MW182.21 g/mol
LogP1.68
Rot. Bonds

About 3,3-difluoroazetidine-1-carboxamide;molecular hydrogen;propane

3,3-difluoroazetidine-1-carboxamide;molecular hydrogen;propane (PubChem CID 144507525) has the molecular formula C7H16F2N2O and a molecular weight of 182.21 g/mol. Its IUPAC name is 3,3-difluoroazetidine-1-carboxamide;molecular hydrogen;propane.

Molecular Properties

Compound Name3,3-difluoroazetidine-1-carboxamide;molecular hydrogen;propane
PubChem CID144507525
Molecular FormulaC7H16F2N2O
Molecular Weight182.21 g/mol
Exact Mass182.12
IUPAC Name3,3-difluoroazetidine-1-carboxamide;molecular hydrogen;propane
SMILESCCC.NC(=O)N1CC(F)(F)C1.[H][H]
InChIInChI=1S/C4H6F2N2O.C3H8.H2/c5-4(6)1-8(2-4)3(7)9;1-3-2;/h1-2H2,(H2,7,9);3H2,1-2H3;1H
InChIKeyQKPCDQKUPNCJCJ-UHFFFAOYSA-N
XLogP1.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Butyl-1-(trifluoromethyl)urea
CID 21511699
N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide
CID 69092682
1-(Difluoromethyl)-1-propylurea
CID 87440781
1-Propyl-1-(trifluoromethyl)urea
CID 87440798
1-Butan-2-yl-1-(difluoromethyl)urea
CID 87440991
1-Butan-2-yl-1-(trifluoromethyl)urea
CID 87440995
1-Butyl-1-(difluoromethyl)urea
CID 87441129
2-Fluoroazetidine-1-carboxamide
CID 118168930
3,3-difluoro-N-methylazetidine-1-carboxamide
CID 118395187
1-(2,2-Difluoropropyl)-1-methylurea
CID 118626521
N-ethyl-3,3-difluoroazetidine-1-carboxamide
CID 122269483
3,3-difluoro-N-propylazetidine-1-carboxamide
CID 122269486

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoroazetidine-1-carboxamide;molecular hydrogen;propane?
The IUPAC name of 3,3-difluoroazetidine-1-carboxamide;molecular hydrogen;propane (CID 144507525) is 3,3-difluoroazetidine-1-carboxamide;molecular hydrogen;propane.
What is the SMILES notation for 3,3-difluoroazetidine-1-carboxamide;molecular hydrogen;propane?
The canonical SMILES for 3,3-difluoroazetidine-1-carboxamide;molecular hydrogen;propane is CCC.NC(=O)N1CC(F)(F)C1.[H][H].
What is the InChIKey of 3,3-difluoroazetidine-1-carboxamide;molecular hydrogen;propane?
The InChIKey is QKPCDQKUPNCJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2N2O.C3H8.H2/c5-4(6)1-8(2-4)3(7)9;1-3-2;/h1-2H2,(H2,7,9);3H2,1-2H3;1H.
What are the key properties of 3,3-difluoroazetidine-1-carboxamide;molecular hydrogen;propane?
3,3-difluoroazetidine-1-carboxamide;molecular hydrogen;propane has a molecular weight of 182.21 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroazetidine-1-carboxamide;molecular hydrogen;propane is sourced from PubChem (CID 144507525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).