(2-fluoro-1-methylcyclopropyl)-(1-methyltetrazol-5-yl)methanol

C7H11FN4O — CID 164650285

IUPAC(2-fluoro-1-methylcyclopropyl)-(1-methyltetrazol-5-yl)methanol
SMILESCn1nnnc1C(O)C1(C)CC1F
InChIInChI=1S/C7H11FN4O/c1-7(3-4(7)8)5(13)6-9-10-11-12(6)2/h4-5,13H,3H2,1-2H3
InChIKeyCEBFOHDCNANKIH-UHFFFAOYSA-N
MW186.19 g/mol
LogP-0.01
Rot. Bonds2

About (2-fluoro-1-methylcyclopropyl)-(1-methyltetrazol-5-yl)methanol

(2-fluoro-1-methylcyclopropyl)-(1-methyltetrazol-5-yl)methanol (PubChem CID 164650285) has the molecular formula C7H11FN4O and a molecular weight of 186.19 g/mol. Its IUPAC name is (2-fluoro-1-methylcyclopropyl)-(1-methyltetrazol-5-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-1-methylcyclopropyl)-(1-methyltetrazol-5-yl)methanol
PubChem CID164650285
Molecular FormulaC7H11FN4O
Molecular Weight186.19 g/mol
Exact Mass186.09
IUPAC Name(2-fluoro-1-methylcyclopropyl)-(1-methyltetrazol-5-yl)methanol
SMILESCn1nnnc1C(O)C1(C)CC1F
InChIInChI=1S/C7H11FN4O/c1-7(3-4(7)8)5(13)6-9-10-11-12(6)2/h4-5,13H,3H2,1-2H3
InChIKeyCEBFOHDCNANKIH-UHFFFAOYSA-N
XLogP-0.01
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-1-methylcyclopropyl)-(1-methyltetrazol-5-yl)methanol?
The IUPAC name of (2-fluoro-1-methylcyclopropyl)-(1-methyltetrazol-5-yl)methanol (CID 164650285) is (2-fluoro-1-methylcyclopropyl)-(1-methyltetrazol-5-yl)methanol.
What is the SMILES notation for (2-fluoro-1-methylcyclopropyl)-(1-methyltetrazol-5-yl)methanol?
The canonical SMILES for (2-fluoro-1-methylcyclopropyl)-(1-methyltetrazol-5-yl)methanol is Cn1nnnc1C(O)C1(C)CC1F.
What is the InChIKey of (2-fluoro-1-methylcyclopropyl)-(1-methyltetrazol-5-yl)methanol?
The InChIKey is CEBFOHDCNANKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4O/c1-7(3-4(7)8)5(13)6-9-10-11-12(6)2/h4-5,13H,3H2,1-2H3.
What are the key properties of (2-fluoro-1-methylcyclopropyl)-(1-methyltetrazol-5-yl)methanol?
(2-fluoro-1-methylcyclopropyl)-(1-methyltetrazol-5-yl)methanol has a molecular weight of 186.19 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-1-methylcyclopropyl)-(1-methyltetrazol-5-yl)methanol is sourced from PubChem (CID 164650285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).