3-butoxy-1,1-difluoropropan-1-ol

C7H14F2O2 — CID 164768112

IUPAC3-butoxy-1,1-difluoropropan-1-ol
SMILESCCCCOCCC(O)(F)F
InChIInChI=1S/C7H14F2O2/c1-2-3-5-11-6-4-7(8,9)10/h10H,2-6H2,1H3
InChIKeyHONXHJAOLHESNU-UHFFFAOYSA-N
MW168.18 g/mol
LogP1.78
Rot. Bonds6

About 3-butoxy-1,1-difluoropropan-1-ol

3-butoxy-1,1-difluoropropan-1-ol (PubChem CID 164768112) has the molecular formula C7H14F2O2 and a molecular weight of 168.18 g/mol. Its IUPAC name is 3-butoxy-1,1-difluoropropan-1-ol.

Molecular Properties

Compound Name3-butoxy-1,1-difluoropropan-1-ol
PubChem CID164768112
Molecular FormulaC7H14F2O2
Molecular Weight168.18 g/mol
Exact Mass168.10
IUPAC Name3-butoxy-1,1-difluoropropan-1-ol
SMILESCCCCOCCC(O)(F)F
InChIInChI=1S/C7H14F2O2/c1-2-3-5-11-6-4-7(8,9)10/h10H,2-6H2,1H3
InChIKeyHONXHJAOLHESNU-UHFFFAOYSA-N
XLogP1.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,6-bis(2-butoxyethoxy)-3,4-bis[2-(2-butoxyethoxy)ethyl]hexane-3,4-diol
CID 157473133
1-butoxy-3,3-difluorobutane
CID 175614029
1-butoxy-5-(3,3,3-trifluoropropoxy)pentane
CID 59366555
2-(2-butoxyethoxy)-1,1,2,2-tetrafluoroethanol
CID 18995460
ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039
1,1,1-trifluoro-4-pentoxy-2,2-bis(trifluoromethyl)butane
CID 172565145
3,3-difluoro-1-pentoxypentane
CID 175614037
1-butoxy-4-(trifluoromethoxy)butane
CID 152923004
1-butoxy-3-ethylheptan-3-amine
CID 65019696
aluminum;1-butoxybutane;hydride
CID 174684135
1-butoxybutane;methoxymethane
CID 18401298
5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one
CID 157126215

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-1,1-difluoropropan-1-ol?
The IUPAC name of 3-butoxy-1,1-difluoropropan-1-ol (CID 164768112) is 3-butoxy-1,1-difluoropropan-1-ol.
What is the SMILES notation for 3-butoxy-1,1-difluoropropan-1-ol?
The canonical SMILES for 3-butoxy-1,1-difluoropropan-1-ol is CCCCOCCC(O)(F)F.
What is the InChIKey of 3-butoxy-1,1-difluoropropan-1-ol?
The InChIKey is HONXHJAOLHESNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O2/c1-2-3-5-11-6-4-7(8,9)10/h10H,2-6H2,1H3.
What are the key properties of 3-butoxy-1,1-difluoropropan-1-ol?
3-butoxy-1,1-difluoropropan-1-ol has a molecular weight of 168.18 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-1,1-difluoropropan-1-ol is sourced from PubChem (CID 164768112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).