4-cyclopropyl-1,2-difluorobenzene;formic acid

C10H10F2O2 — CID 144529056

IUPAC4-cyclopropyl-1,2-difluorobenzene;formic acid
SMILESFc1ccc(C2CC2)cc1F.O=CO
InChIInChI=1S/C9H8F2.CH2O2/c10-8-4-3-7(5-9(8)11)6-1-2-6;2-1-3/h3-6H,1-2H2;1H,(H,2,3)
InChIKeyRUZIWMRUOUXKGH-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.54
Rot. Bonds1

About 4-cyclopropyl-1,2-difluorobenzene;formic acid

4-cyclopropyl-1,2-difluorobenzene;formic acid (PubChem CID 144529056) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 4-cyclopropyl-1,2-difluorobenzene;formic acid.

Molecular Properties

Compound Name4-cyclopropyl-1,2-difluorobenzene;formic acid
PubChem CID144529056
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name4-cyclopropyl-1,2-difluorobenzene;formic acid
SMILESFc1ccc(C2CC2)cc1F.O=CO
InChIInChI=1S/C9H8F2.CH2O2/c10-8-4-3-7(5-9(8)11)6-1-2-6;2-1-3/h3-6H,1-2H2;1H,(H,2,3)
InChIKeyRUZIWMRUOUXKGH-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-cyclopropyl-1,2-difluorobenzene;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclopropyl-1,2-difluorobenzene;ethyl formate
CID 145194546
4-(3,4-difluorophenyl)cyclohexane-1-carbaldehyde;2,2,2-trifluoroacetic acid
CID 175215918
4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene
CID 144902495
1,2-difluoro-4-(4-methoxycyclohexyl)benzene
CID 144809444
4-cyclopropyl-2-fluorobenzaldehyde;ethane
CID 177364762
1,2-difluoro-4-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]benzene
CID 67843257
4-(3-bromocyclopentyl)-1,2-difluorobenzene
CID 64508939
4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
CID 154010858
[4-(3,4-difluorophenyl)cyclohexyl] pent-4-enoate
CID 139645779
(E)-5-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]pent-2-enoic acid
CID 67643873
(3S)-3-(3,4-difluorophenyl)cyclopentan-1-one
CID 95375871
4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]-1,2-difluorobenzene
CID 19695568

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1,2-difluorobenzene;formic acid?
The IUPAC name of 4-cyclopropyl-1,2-difluorobenzene;formic acid (CID 144529056) is 4-cyclopropyl-1,2-difluorobenzene;formic acid.
What is the SMILES notation for 4-cyclopropyl-1,2-difluorobenzene;formic acid?
The canonical SMILES for 4-cyclopropyl-1,2-difluorobenzene;formic acid is Fc1ccc(C2CC2)cc1F.O=CO.
What is the InChIKey of 4-cyclopropyl-1,2-difluorobenzene;formic acid?
The InChIKey is RUZIWMRUOUXKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2.CH2O2/c10-8-4-3-7(5-9(8)11)6-1-2-6;2-1-3/h3-6H,1-2H2;1H,(H,2,3).
What are the key properties of 4-cyclopropyl-1,2-difluorobenzene;formic acid?
4-cyclopropyl-1,2-difluorobenzene;formic acid has a molecular weight of 200.18 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1,2-difluorobenzene;formic acid is sourced from PubChem (CID 144529056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).