1-butoxy-3,3-difluorobutane

C8H16F2O — CID 175614029

IUPAC1-butoxy-3,3-difluorobutane
SMILESCCCCOCCC(C)(F)F
InChIInChI=1S/C8H16F2O/c1-3-4-6-11-7-5-8(2,9)10/h3-7H2,1-2H3
InChIKeyOSJJNXCLKGIKID-UHFFFAOYSA-N
MW166.21 g/mol
LogP2.85
Rot. Bonds6

About 1-butoxy-3,3-difluorobutane

1-butoxy-3,3-difluorobutane (PubChem CID 175614029) has the molecular formula C8H16F2O and a molecular weight of 166.21 g/mol. Its IUPAC name is 1-butoxy-3,3-difluorobutane.

Molecular Properties

Compound Name1-butoxy-3,3-difluorobutane
PubChem CID175614029
Molecular FormulaC8H16F2O
Molecular Weight166.21 g/mol
Exact Mass166.12
IUPAC Name1-butoxy-3,3-difluorobutane
SMILESCCCCOCCC(C)(F)F
InChIInChI=1S/C8H16F2O/c1-3-4-6-11-7-5-8(2,9)10/h3-7H2,1-2H3
InChIKeyOSJJNXCLKGIKID-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-butoxy-3,3-difluorobutane 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

3,3-difluoro-1-propoxybutane
CID 118261285
3-butoxy-1,1-difluoropropan-1-ol
CID 164768112
1-butoxy-5-(3,3,3-trifluoropropoxy)pentane
CID 59366555
1-[2-(2,2-difluoropropoxy)ethoxy]-3,3-difluorobutane
CID 175614014
ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039
1-butoxy-5,5-dimethylhexane
CID 134574772
1,6-bis(2-butoxyethoxy)-3,4-bis[2-(2-butoxyethoxy)ethyl]hexane-3,4-diol
CID 157473133
1,1,1-trifluoro-4-pentoxy-2,2-bis(trifluoromethyl)butane
CID 172565145
3,3-difluoro-1-pentoxypentane
CID 175614037
1-(3,3-dimethylbutoxy)-17,17-difluorooctadecane
CID 126578389
1-butoxy-4-(trifluoromethoxy)butane
CID 152923004
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine
CID 104560395

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3,3-difluorobutane?
The IUPAC name of 1-butoxy-3,3-difluorobutane (CID 175614029) is 1-butoxy-3,3-difluorobutane.
What is the SMILES notation for 1-butoxy-3,3-difluorobutane?
The canonical SMILES for 1-butoxy-3,3-difluorobutane is CCCCOCCC(C)(F)F.
What is the InChIKey of 1-butoxy-3,3-difluorobutane?
The InChIKey is OSJJNXCLKGIKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O/c1-3-4-6-11-7-5-8(2,9)10/h3-7H2,1-2H3.
What are the key properties of 1-butoxy-3,3-difluorobutane?
1-butoxy-3,3-difluorobutane has a molecular weight of 166.21 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3,3-difluorobutane is sourced from PubChem (CID 175614029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).