[2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol

C7H11Br2ClO — CID 70480900

IUPAC[2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol
SMILESOCC1C(CCCCl)C1(Br)Br
InChIInChI=1S/C7H11Br2ClO/c8-7(9)5(2-1-3-10)6(7)4-11/h5-6,11H,1-4H2
InChIKeyFFKLKBJBSSXLKF-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.73
Rot. Bonds4

About [2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol

[2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol (PubChem CID 70480900) has the molecular formula C7H11Br2ClO and a molecular weight of 306.43 g/mol. Its IUPAC name is [2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol
PubChem CID70480900
Molecular FormulaC7H11Br2ClO
Molecular Weight306.43 g/mol
Exact Mass303.89
IUPAC Name[2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol
SMILESOCC1C(CCCCl)C1(Br)Br
InChIInChI=1S/C7H11Br2ClO/c8-7(9)5(2-1-3-10)6(7)4-11/h5-6,11H,1-4H2
InChIKeyFFKLKBJBSSXLKF-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-Chloropropyl)cyclopropyl]methanol
CID 124034873
(3-Bromocyclohexyl)-chloromethanol
CID 145686157
2-[(1S,3R)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]ethanol
CID 70480385
2-[2,2-Dibromo-3-(3-chloropropyl)cyclopropyl]ethanol
CID 70480390
2-[(1R,3S)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]ethanol
CID 70480392
2-[(1S,3R)-2,2-dibromo-3-(2-chloroethyl)cyclopropyl]ethanol
CID 70480763
2-[2,2-Dibromo-3-(2-chloroethyl)cyclopropyl]ethanol
CID 70480769
2-[(1R,3S)-2,2-dibromo-3-(2-chloroethyl)cyclopropyl]ethanol
CID 70480772
[(1R,3R)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol
CID 70480896
[(1S,3S)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol
CID 70480902
1-[(1R,3S)-2,2-dibromo-3-(1-chloroethyl)cyclopropyl]ethanol
CID 70481579

Frequently Asked Questions

What is the IUPAC name of [2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol?
The IUPAC name of [2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol (CID 70480900) is [2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol.
What is the SMILES notation for [2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol?
The canonical SMILES for [2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol is OCC1C(CCCCl)C1(Br)Br.
What is the InChIKey of [2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol?
The InChIKey is FFKLKBJBSSXLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Br2ClO/c8-7(9)5(2-1-3-10)6(7)4-11/h5-6,11H,1-4H2.
What are the key properties of [2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol?
[2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol has a molecular weight of 306.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol is sourced from PubChem (CID 70480900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).