2,2-difluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]cyclopropane-1-carboxamide

C10H15F2N5O — CID 154846611

IUPAC2,2-difluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]cyclopropane-1-carboxamide
SMILESCC(C)CC(NC(=O)C1CC1(F)F)c1nn[nH]n1
InChIInChI=1S/C10H15F2N5O/c1-5(2)3-7(8-14-16-17-15-8)13-9(18)6-4-10(6,11)12/h5-7H,3-4H2,1-2H3,(H,13,18)(H,14,15,16,17)
InChIKeyOPSDMTCCCQLSFB-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.06
Rot. Bonds5

About 2,2-difluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]cyclopropane-1-carboxamide

2,2-difluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]cyclopropane-1-carboxamide (PubChem CID 154846611) has the molecular formula C10H15F2N5O and a molecular weight of 259.26 g/mol. Its IUPAC name is 2,2-difluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]cyclopropane-1-carboxamide
PubChem CID154846611
Molecular FormulaC10H15F2N5O
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name2,2-difluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]cyclopropane-1-carboxamide
SMILESCC(C)CC(NC(=O)C1CC1(F)F)c1nn[nH]n1
InChIInChI=1S/C10H15F2N5O/c1-5(2)3-7(8-14-16-17-15-8)13-9(18)6-4-10(6,11)12/h5-7H,3-4H2,1-2H3,(H,13,18)(H,14,15,16,17)
InChIKeyOPSDMTCCCQLSFB-UHFFFAOYSA-N
XLogP1.06
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]cyclopropane-1-carboxamide (CID 154846611) is 2,2-difluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]cyclopropane-1-carboxamide is CC(C)CC(NC(=O)C1CC1(F)F)c1nn[nH]n1.
What is the InChIKey of 2,2-difluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]cyclopropane-1-carboxamide?
The InChIKey is OPSDMTCCCQLSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N5O/c1-5(2)3-7(8-14-16-17-15-8)13-9(18)6-4-10(6,11)12/h5-7H,3-4H2,1-2H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 2,2-difluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]cyclopropane-1-carboxamide?
2,2-difluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]cyclopropane-1-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 154846611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).