(2S,3R)-1,3-dichloro-2,4-difluorobutane

C4H6Cl2F2 — CID 55301115

IUPAC(2S,3R)-1,3-dichloro-2,4-difluorobutane
SMILESFC[C@@H](Cl)[C@@H](F)CCl
InChIInChI=1S/C4H6Cl2F2/c5-1-4(8)3(6)2-7/h3-4H,1-2H2/t3-,4+/m1/s1
InChIKeyDMJQGNFQJVCOJI-DMTCNVIQSA-N
MW162.99 g/mol
LogP2.14
Rot. Bonds3

About (2S,3R)-1,3-dichloro-2,4-difluorobutane

(2S,3R)-1,3-dichloro-2,4-difluorobutane (PubChem CID 55301115) has the molecular formula C4H6Cl2F2 and a molecular weight of 162.99 g/mol. Its IUPAC name is (2S,3R)-1,3-dichloro-2,4-difluorobutane.

Molecular Properties

Compound Name(2S,3R)-1,3-dichloro-2,4-difluorobutane
PubChem CID55301115
Molecular FormulaC4H6Cl2F2
Molecular Weight162.99 g/mol
Exact Mass161.98
IUPAC Name(2S,3R)-1,3-dichloro-2,4-difluorobutane
SMILESFC[C@@H](Cl)[C@@H](F)CCl
InChIInChI=1S/C4H6Cl2F2/c5-1-4(8)3(6)2-7/h3-4H,1-2H2/t3-,4+/m1/s1
InChIKeyDMJQGNFQJVCOJI-DMTCNVIQSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.99
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-1,1,1,3-tetrafluorobutane
CID 54422561
1,2,3,4-tetrachlorobutane
CID 155672172
(3S)-3-bromo-1-chloro-2-fluorobutane
CID 166684401
2-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane
CID 157357085
3-chloro-4-fluorohexane
CID 12545925
chloro(difluoro)methane
CID 102425690
4-chloro-1,1,1,3-tetrafluorobutane
CID 174723522
1-chloro-3-(18F)fluoropropan-2-ol
CID 59622889
2-bromo-1-chloro-3-fluoropropane
CID 12759423
1-chloro-1-fluoroethane;dichloromethane;methanol
CID 174297915
3-chloro-1,1,2,5-tetrafluoropentane
CID 156540413
2-chloro-1,4-difluorobutan-1-ol
CID 175305281

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1,3-dichloro-2,4-difluorobutane?
The IUPAC name of (2S,3R)-1,3-dichloro-2,4-difluorobutane (CID 55301115) is (2S,3R)-1,3-dichloro-2,4-difluorobutane.
What is the SMILES notation for (2S,3R)-1,3-dichloro-2,4-difluorobutane?
The canonical SMILES for (2S,3R)-1,3-dichloro-2,4-difluorobutane is FC[C@@H](Cl)[C@@H](F)CCl.
What is the InChIKey of (2S,3R)-1,3-dichloro-2,4-difluorobutane?
The InChIKey is DMJQGNFQJVCOJI-DMTCNVIQSA-N. The full InChI is InChI=1S/C4H6Cl2F2/c5-1-4(8)3(6)2-7/h3-4H,1-2H2/t3-,4+/m1/s1.
What are the key properties of (2S,3R)-1,3-dichloro-2,4-difluorobutane?
(2S,3R)-1,3-dichloro-2,4-difluorobutane has a molecular weight of 162.99 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1,3-dichloro-2,4-difluorobutane is sourced from PubChem (CID 55301115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).