fluoromethane;1-propan-2-yl-4,5-bis[(Z)-prop-1-enyl]triazole

C12H20FN3 — CID 164860190

IUPACfluoromethane;1-propan-2-yl-4,5-bis[(Z)-prop-1-enyl]triazole
SMILESC/C=C\c1nnn(C(C)C)c1/C=C\C.CF
InChIInChI=1S/C11H17N3.CH3F/c1-5-7-10-11(8-6-2)14(9(3)4)13-12-10;1-2/h5-9H,1-4H3;1H3/b7-5-,8-6-;
InChIKeySZGZYQZWBGEKRK-OVDGFJEXSA-N
MW225.31 g/mol
LogP3.51
Rot. Bonds3

About fluoromethane;1-propan-2-yl-4,5-bis[(Z)-prop-1-enyl]triazole

fluoromethane;1-propan-2-yl-4,5-bis[(Z)-prop-1-enyl]triazole (PubChem CID 164860190) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is fluoromethane;1-propan-2-yl-4,5-bis[(Z)-prop-1-enyl]triazole.

Molecular Properties

Compound Namefluoromethane;1-propan-2-yl-4,5-bis[(Z)-prop-1-enyl]triazole
PubChem CID164860190
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Namefluoromethane;1-propan-2-yl-4,5-bis[(Z)-prop-1-enyl]triazole
SMILESC/C=C\c1nnn(C(C)C)c1/C=C\C.CF
InChIInChI=1S/C11H17N3.CH3F/c1-5-7-10-11(8-6-2)14(9(3)4)13-12-10;1-2/h5-9H,1-4H3;1H3/b7-5-,8-6-;
InChIKeySZGZYQZWBGEKRK-OVDGFJEXSA-N
XLogP3.51
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-5-(trifluoromethyl)triazole-4-carbaldehyde
CID 82206998
5-(fluoromethyl)-1,4-di(propan-2-yl)triazole
CID 167345241
5-cyclopropyl-3-propan-2-yltriazole-4-carbaldehyde
CID 105438174
4,5-bis(1,1,2,2,2-pentafluoroethyl)-1-propan-2-yltriazole
CID 87803610
ethane;1-methylsulfonyl-5-propa-1,2-dienyl-4-[(Z)-prop-1-enyl]triazole
CID 164926088
5-(3,4-difluorophenyl)-1-propan-2-yltriazole-4-carbaldehyde
CID 82207015
1-propan-2-yl-5-propyl-4-(trifluoromethyl)triazole
CID 69384944
5-(3-fluorophenyl)-3-propan-2-yltriazole-4-carbaldehyde
CID 105492399
4-ethyl-5-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-yltriazole
CID 87804619
(1-propan-2-yl-5-propyltriazol-4-yl)methanamine
CID 82207030
5-(4-butylcyclohexyl)-1-propan-2-yltriazole-4-carbaldehyde
CID 82206990
5-butyl-1-propan-2-yltriazole-4-carbonitrile
CID 69381786

Frequently Asked Questions

What is the IUPAC name of fluoromethane;1-propan-2-yl-4,5-bis[(Z)-prop-1-enyl]triazole?
The IUPAC name of fluoromethane;1-propan-2-yl-4,5-bis[(Z)-prop-1-enyl]triazole (CID 164860190) is fluoromethane;1-propan-2-yl-4,5-bis[(Z)-prop-1-enyl]triazole.
What is the SMILES notation for fluoromethane;1-propan-2-yl-4,5-bis[(Z)-prop-1-enyl]triazole?
The canonical SMILES for fluoromethane;1-propan-2-yl-4,5-bis[(Z)-prop-1-enyl]triazole is C/C=C\c1nnn(C(C)C)c1/C=C\C.CF.
What is the InChIKey of fluoromethane;1-propan-2-yl-4,5-bis[(Z)-prop-1-enyl]triazole?
The InChIKey is SZGZYQZWBGEKRK-OVDGFJEXSA-N. The full InChI is InChI=1S/C11H17N3.CH3F/c1-5-7-10-11(8-6-2)14(9(3)4)13-12-10;1-2/h5-9H,1-4H3;1H3/b7-5-,8-6-;.
What are the key properties of fluoromethane;1-propan-2-yl-4,5-bis[(Z)-prop-1-enyl]triazole?
fluoromethane;1-propan-2-yl-4,5-bis[(Z)-prop-1-enyl]triazole has a molecular weight of 225.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;1-propan-2-yl-4,5-bis[(Z)-prop-1-enyl]triazole is sourced from PubChem (CID 164860190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).