N-[2-(3,4-difluorophenyl)cyclopropyl]methanethioamide

C10H9F2NS — CID 123679998

IUPACN-[2-(3,4-difluorophenyl)cyclopropyl]methanethioamide
SMILESFc1ccc(C2CC2NC=S)cc1F
InChIInChI=1S/C10H9F2NS/c11-8-2-1-6(3-9(8)12)7-4-10(7)13-5-14/h1-3,5,7,10H,4H2,(H,13,14)
InChIKeyCJZBIQOAYCXWHQ-UHFFFAOYSA-N
MW213.25 g/mol
LogP2.37
Rot. Bonds3

About N-[2-(3,4-difluorophenyl)cyclopropyl]methanethioamide

N-[2-(3,4-difluorophenyl)cyclopropyl]methanethioamide (PubChem CID 123679998) has the molecular formula C10H9F2NS and a molecular weight of 213.25 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)cyclopropyl]methanethioamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)cyclopropyl]methanethioamide
PubChem CID123679998
Molecular FormulaC10H9F2NS
Molecular Weight213.25 g/mol
Exact Mass213.04
IUPAC NameN-[2-(3,4-difluorophenyl)cyclopropyl]methanethioamide
SMILESFc1ccc(C2CC2NC=S)cc1F
InChIInChI=1S/C10H9F2NS/c11-8-2-1-6(3-9(8)12)7-4-10(7)13-5-14/h1-3,5,7,10H,4H2,(H,13,14)
InChIKeyCJZBIQOAYCXWHQ-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-difluorophenyl)-N-methylcyclopropan-1-amine
CID 22736783
1-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]cyclobutane-1,3-diamine
CID 134359515
trans-(1S,2R)-2-(3,4-difluorophenyl)cyclopropan-1-amine;trans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine
CID 154925657
4-[(1S,2R)-2-(dimethylsulfamoylamino)cyclopropyl]-1,2-difluorobenzene
CID 118607729
cis-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carbaldehyde
CID 95994342
tert-butyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate
CID 76555314
1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558228
[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine
CID 94556780
N-[2-(3,4-difluorophenyl)cyclopropyl]naphthalene-2-sulfonamide
CID 123352149
3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine
CID 81414919
benzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate
CID 123672506
cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
CID 124562405

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)cyclopropyl]methanethioamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)cyclopropyl]methanethioamide (CID 123679998) is N-[2-(3,4-difluorophenyl)cyclopropyl]methanethioamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)cyclopropyl]methanethioamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)cyclopropyl]methanethioamide is Fc1ccc(C2CC2NC=S)cc1F.
What is the InChIKey of N-[2-(3,4-difluorophenyl)cyclopropyl]methanethioamide?
The InChIKey is CJZBIQOAYCXWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NS/c11-8-2-1-6(3-9(8)12)7-4-10(7)13-5-14/h1-3,5,7,10H,4H2,(H,13,14).
What are the key properties of N-[2-(3,4-difluorophenyl)cyclopropyl]methanethioamide?
N-[2-(3,4-difluorophenyl)cyclopropyl]methanethioamide has a molecular weight of 213.25 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)cyclopropyl]methanethioamide is sourced from PubChem (CID 123679998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).